data_5h7p_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 5h7p _Structure_validation_residue.Date_analyzed 2016-12-16 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.0 mtm . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.577 ' CB ' ' NH1' ' A' ' 41' ' ' ARG . . . -59.18 -40.48 85.81 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.248 -0.908 . . . . 0.0 109.109 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -64.35 -34.85 79.11 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.143 -0.973 . . . . 0.0 108.987 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -58.96 -41.95 88.71 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.53 94.35 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.75 -45.72 89.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.333 -0.855 . . . . 0.0 109.359 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -60.64 -39.13 87.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.161 -0.962 . . . . 0.0 109.011 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.77 -39.89 84.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.319 -0.863 . . . . 0.0 109.453 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.2 t -60.87 -41.84 90.29 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 O-C-N 121.13 -0.981 . . . . 0.0 108.485 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.56 -45.16 80.23 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.334 -0.854 . . . . 0.0 108.949 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.52 -34.4 77.83 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.332 -0.855 . . . . 0.0 108.694 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.96 93.48 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.152 -0.968 . . . . 0.0 108.815 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -62.29 -39.7 93.82 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.404 -0.81 . . . . 0.0 109.025 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -59.07 -43.32 91.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.222 -0.923 . . . . 0.0 109.515 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -63.48 -39.89 95.66 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.286 -0.884 . . . . 0.0 109.482 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -58.57 -38.62 78.28 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.076 -1.015 . . . . 0.0 108.672 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.55 -31.36 71.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.463 -0.773 . . . . 0.0 109.111 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -83.78 -14.77 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.433 -0.792 . . . . 0.0 109.755 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.82 24.29 33.12 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.9 mt -95.55 54.93 1.63 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.227 -1.161 . . . . 0.0 109.385 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.96 -28.34 48.04 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.7 mm -58.52 -52.24 61.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.105 -1.232 . . . . 0.0 109.685 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.424 HD13 HG23 ' A' ' 23' ' ' ILE . 21.2 mm -64.1 -35.84 75.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.7 -47.08 92.18 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.429 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 65.9 t80 -61.55 -48.44 81.0 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.034 -1.274 . . . . 0.0 110.181 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.669 ' CD2' ' SD ' ' A' ' 93' ' ' MET . 65.1 t80 -64.73 -45.41 86.64 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.241 -0.912 . . . . 0.0 110.899 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.494 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -66.76 -36.4 82.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.954 -1.091 . . . . 0.0 110.141 -178.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -61.71 -39.79 92.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.72 -1.238 . . . . 0.0 108.769 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.429 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 93.5 mt -61.02 -39.06 88.33 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -65.82 -36.21 82.85 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.209 -0.932 . . . . 0.0 109.32 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.8 92.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.362 -0.836 . . . . 0.0 110.338 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.72 -41.77 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.793 -1.192 . . . . 0.0 109.038 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.68 -35.61 78.48 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.943 -1.098 . . . . 0.0 108.946 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.2 tp -64.7 -43.13 94.49 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 110.069 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.56 -48.18 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.066 -1.021 . . . . 0.0 110.064 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.491 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -64.53 -35.25 80.36 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.353 -0.842 . . . . 0.0 109.327 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.9 m -83.54 -0.12 48.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.234 -0.916 . . . . 0.0 109.211 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.517 ' OE2' ' CB ' ' A' ' 2' ' ' ALA . 84.7 tt0 -89.99 149.92 22.35 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.341 -0.849 . . . . 0.0 109.787 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -57.06 151.0 15.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.381 -0.824 . . . . 0.0 109.566 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -58.73 131.94 52.38 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.403 -0.81 . . . . 0.0 109.9 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.577 ' NH1' ' CB ' ' A' ' 2' ' ' ALA . 68.5 mtp180 -122.07 170.02 10.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.611 -0.68 . . . . 0.0 109.628 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.7 m -58.11 170.02 0.73 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.385 -0.822 . . . . 0.0 109.847 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.491 ' O ' ' OG1' ' A' ' 46' ' ' THR . 94.3 mt-30 -56.13 -28.0 56.23 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.486 -0.759 . . . . 0.0 110.552 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.29 -40.39 48.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.782 -1.199 . . . . 0.0 109.294 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.577 ' O ' ' SD ' ' A' ' 45' ' ' MET . 7.0 tmm? -63.36 -38.22 90.31 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.227 -0.921 . . . . 0.0 109.068 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 43' ' ' GLN . 34.1 p -62.07 -36.41 81.57 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.24 -0.912 . . . . 0.0 109.133 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.485 ' O ' ' OG1' ' A' ' 50' ' ' THR . . . -63.96 -43.12 96.75 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.179 -0.951 . . . . 0.0 108.734 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.13 -35.56 81.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.328 -0.858 . . . . 0.0 109.061 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.9 -38.25 90.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.301 -0.875 . . . . 0.0 109.321 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 47' ' ' ALA . 70.0 p -65.39 -43.24 91.31 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.338 -0.851 . . . . 0.0 109.339 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.75 -40.2 91.58 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.64 -39.23 87.51 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.309 -0.869 . . . . 0.0 108.793 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.1 tp -59.8 -40.93 90.02 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.311 -0.868 . . . . 0.0 108.733 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -59.95 -39.39 85.42 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 59' ' ' PHE . 47.2 m -60.25 -39.93 88.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.696 -0.627 . . . . 0.0 109.566 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.6 mm -59.83 -55.16 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.119 -0.988 . . . . 0.0 109.233 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -63.43 -38.08 89.77 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.588 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.03 -31.98 71.16 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 55' ' ' THR . 82.3 t80 -59.22 -54.37 47.68 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.299 -0.875 . . . . 0.0 109.55 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -62.33 -41.7 98.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.034 -1.041 . . . . 0.0 109.33 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -82.73 -3.07 55.98 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.318 -0.864 . . . . 0.0 110.071 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.72 -35.33 21.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.205 -0.934 . . . . 0.0 109.821 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.426 ' C ' ' H ' ' A' ' 65' ' ' GLY . 85.1 mt -68.66 -37.55 77.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.152 -0.968 . . . . 0.0 109.796 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.84 -5.36 12.62 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 91.82 -5.52 79.41 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.64 -46.6 81.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.126 -1.22 . . . . 0.0 109.765 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -64.62 -34.77 79.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.207 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 69' ' ' ALA . 97.1 mt-10 -62.45 -28.65 69.95 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.451 -0.781 . . . . 0.0 109.904 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -39.26 -37.33 0.41 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.389 -0.82 . . . . 0.0 109.882 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -112.08 132.57 54.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.402 -0.811 . . . . 0.0 109.155 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 50.94 48.61 22.71 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.127 -0.983 . . . . 0.0 108.998 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 p -57.31 -36.54 71.23 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.251 -0.906 . . . . 0.0 110.127 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.583 ' O ' ' ND1' ' A' ' 77' ' ' HIS . 90.3 m-20 -62.11 -43.76 98.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.1 -1.0 . . . . 0.0 109.887 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -63.79 -41.66 97.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.327 -0.858 . . . . 0.0 109.95 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.5 t -59.51 -42.74 92.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.957 . . . . 0.0 110.115 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.12 -40.32 94.33 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.15 -0.969 . . . . 0.0 109.824 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.583 ' ND1' ' O ' ' A' ' 73' ' ' ASP . 61.9 m80 -62.59 -45.64 91.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.165 -0.959 . . . . 0.0 110.198 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.06 -49.81 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.158 -0.964 . . . . 0.0 110.11 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 96.9 mmm -68.3 -46.66 69.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.245 -0.909 . . . . 0.0 110.81 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.591 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 57.3 t-20 -68.98 -45.56 70.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.016 -1.053 . . . . 0.0 111.631 -178.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 54.0 m -63.92 -47.7 79.48 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.091 -1.006 . . . . 0.0 111.963 -178.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.9 mt -72.72 -34.07 66.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.949 -1.094 . . . . 0.0 111.563 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 90.1 mt -79.32 -42.26 23.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 120.912 -1.117 . . . . 0.0 111.361 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.591 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 63.6 m80 -75.92 -42.48 48.76 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.053 -1.03 . . . . 0.0 111.367 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -81.63 107.4 14.36 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.801 -1.187 . . . . 0.0 110.019 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 87' ' ' GLU . 12.4 pt20 -62.34 -40.53 96.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.419 -0.801 . . . . 0.0 109.938 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 86' ' ' GLN . 97.6 mt-10 -61.39 -40.96 96.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.198 -0.938 . . . . 0.0 109.392 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -61.88 -33.01 73.42 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.82 -44.41 81.21 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.153 -0.967 . . . . 0.0 110.086 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -63.46 -49.1 74.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.118 -0.989 . . . . 0.0 111.26 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.607 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -60.58 -38.24 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.75 -1.219 . . . . 0.0 108.822 -178.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.607 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 55.5 t80 -62.2 -40.25 95.46 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.669 ' SD ' ' CD2' ' A' ' 26' ' ' TYR . 87.9 mtp -67.1 -42.41 84.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.493 -0.754 . . . . 0.0 110.036 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 98' ' ' MET . 90.9 mt -60.99 -37.5 82.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.903 -1.123 . . . . 0.0 109.147 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -64.85 -49.46 70.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.162 -0.961 . . . . 0.0 109.981 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -80.04 -49.59 11.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.329 -0.857 . . . . 0.0 109.484 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.54 ' N ' ' O ' ' A' ' 93' ' ' MET . 15.0 m -55.85 -43.42 77.03 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.399 -0.813 . . . . 0.0 109.587 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.443 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 51.5 ttm -67.54 -46.3 73.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.002 -1.062 . . . . 0.0 109.42 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.1 p -66.2 -35.06 79.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.388 -0.82 . . . . 0.0 109.499 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.2 tp -63.8 -40.44 96.64 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.337 -0.852 . . . . 0.0 109.608 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.663 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 75.8 t80 -65.93 -48.34 71.73 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.311 -0.868 . . . . 0.0 110.343 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -62.0 -46.7 88.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.1 -1.0 . . . . 0.0 109.866 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.12 -36.28 83.51 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.238 -0.914 . . . . 0.0 109.129 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.532 ' CE ' ' OG ' ' A' ' 120' ' ' SER . 56.1 tttm -61.87 -41.69 98.16 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.329 -0.857 . . . . 0.0 109.326 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 92.7 mt -59.01 -43.46 91.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.121 -0.987 . . . . 0.0 108.686 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -60.36 -37.9 82.14 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.295 -0.878 . . . . 0.0 109.066 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.598 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.7 mt-30 -63.05 -39.71 95.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.377 -0.827 . . . . 0.0 109.577 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.43 ' CD1' ' CE2' ' A' ' 157' ' ' TYR . 67.6 mt -64.68 -37.91 89.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.116 -0.99 . . . . 0.0 109.028 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -78.11 -52.97 7.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.566 -0.709 . . . . 0.0 110.403 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -83.67 -22.97 31.94 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.462 -0.774 . . . . 0.0 110.439 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.598 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.46 155.25 17.95 Favored Glycine 0 N--CA 1.493 2.485 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.266 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.09 154.23 70.72 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.921 2.414 . . . . 0.0 112.01 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.589 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 11.7 m-90 -91.17 123.74 34.85 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.202 -0.937 . . . . 0.0 109.454 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 47.9 t0 -135.64 169.62 17.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.343 -0.848 . . . . 0.0 109.424 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.414 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 3.2 m -61.01 -32.45 52.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.293 -0.879 . . . . 0.0 109.368 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.402 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.4 mtm -59.56 -36.71 76.72 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.272 -0.893 . . . . 0.0 109.218 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.9 mm? -64.16 -38.74 92.16 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.218 -0.926 . . . . 0.0 109.067 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -59.99 -43.41 95.16 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.338 -0.851 . . . . 0.0 109.23 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -61.92 -39.14 90.99 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.448 -0.783 . . . . 0.0 109.308 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.532 ' OG ' ' CE ' ' A' ' 104' ' ' LYS . 94.4 p -66.11 -35.51 80.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.394 -0.816 . . . . 0.0 109.754 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.96 -41.27 97.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 109.354 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -63.51 -41.37 98.53 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.147 -0.971 . . . . 0.0 109.188 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.7 m -67.68 -43.41 80.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.857 . . . . 0.0 109.893 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 88.6 m -57.25 -48.26 79.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.094 -1.004 . . . . 0.0 109.643 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.28 -37.88 75.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.21 -0.931 . . . . 0.0 109.09 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.24 -39.65 87.47 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.368 -0.833 . . . . 0.0 109.38 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.84 -44.41 96.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.214 -0.929 . . . . 0.0 109.694 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -71.68 -42.43 67.46 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.256 -0.903 . . . . 0.0 109.829 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.429 ' HG ' ' N ' ' A' ' 130' ' ' CYS . 85.9 p -65.7 -34.3 77.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.238 -0.914 . . . . 0.0 109.879 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.479 ' SG ' ' OH ' ' A' ' 26' ' ' TYR . 1.6 t -68.77 -49.8 55.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.113 -0.992 . . . . 0.0 109.869 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 83.9 mt -63.47 -50.09 79.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 121.232 -0.918 . . . . 0.0 109.913 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 136' ' ' LYS . 55.7 tp -62.23 -41.11 98.12 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.358 -0.839 . . . . 0.0 110.258 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -60.42 -49.52 77.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.185 -0.947 . . . . 0.0 110.456 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.8 tp -67.79 -44.05 78.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.061 -1.024 . . . . 0.0 110.135 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -87.07 3.45 46.07 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.268 -0.895 . . . . 0.0 110.598 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.656 ' HZ1' ' CB ' ' A' ' 144' ' ' THR . 11.7 tptt -51.3 -38.29 52.06 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.057 -1.027 . . . . 0.0 109.999 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -64.65 -24.32 67.54 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 109.525 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -91.61 -3.2 56.66 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.266 -0.896 . . . . 0.0 110.571 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.2 mm -103.87 144.61 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.952 -1.092 . . . . 0.0 109.466 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 48.8 m -77.18 155.12 32.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.334 -0.853 . . . . 0.0 108.962 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.37 -41.92 81.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.055 -1.028 . . . . 0.0 109.84 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 27.1 m -71.78 -42.87 66.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.961 -1.087 . . . . 0.0 109.263 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 29.2 t -58.85 -38.91 79.79 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.148 -0.97 . . . . 0.0 108.477 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.656 ' CB ' ' HZ1' ' A' ' 136' ' ' LYS . 0.4 OUTLIER -64.74 -38.43 90.96 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.863 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . 0.412 ' N ' HG22 ' A' ' 144' ' ' THR . 25.4 t-20 -55.97 -45.55 78.88 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.508 -0.745 . . . . 0.0 109.726 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.5 m -63.22 -46.34 87.43 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.112 -0.992 . . . . 0.0 109.537 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.16 -40.84 94.9 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.31 -0.869 . . . . 0.0 109.528 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.607 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -61.61 -38.3 87.08 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.238 -0.914 . . . . 0.0 109.388 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -62.37 -39.51 93.42 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.977 -1.077 . . . . 0.0 108.873 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -59.52 -39.72 84.82 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.25 -0.906 . . . . 0.0 108.816 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.436 HG23 HD11 ' A' ' 151' ' ' ILE . 33.4 mm -61.78 -40.22 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.328 -0.858 . . . . 0.0 108.922 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 156' ' ' ILE . 22.4 tttt -57.96 -42.1 84.3 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.379 -0.825 . . . . 0.0 108.829 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -59.57 -44.85 93.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -0.882 . . . . 0.0 108.928 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . 0.663 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 36.6 m -65.36 -48.58 72.45 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.09 -33.98 75.44 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 152' ' ' LYS . 7.7 mt -57.78 -47.61 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 O-C-N 121.269 -0.894 . . . . 0.0 109.517 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.589 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 67.8 t80 -62.86 -39.56 94.79 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 41.2 tp -61.71 -42.28 98.73 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.627 -0.671 . . . . 0.0 109.769 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 86.2 p -66.46 -39.73 89.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.223 -0.923 . . . . 0.0 109.978 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.85 -38.65 89.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.133 -0.979 . . . . 0.0 109.226 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.5 -35.64 80.75 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.285 -0.884 . . . . 0.0 108.987 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.02 86.84 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.324 -0.86 . . . . 0.0 109.258 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -81.93 -12.34 58.45 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.293 -0.879 . . . . 0.0 109.382 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 89.02 -1.07 82.75 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -95.05 150.19 20.44 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.232 -1.158 . . . . 0.0 109.728 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 37.8 mm . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.493 -0.754 . . . . 0.0 109.456 179.614 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.71 -41.45 95.29 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.336 -0.853 . . . . 0.0 109.093 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 39.9 tttp -62.02 -44.51 96.56 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.331 -0.856 . . . . 0.0 109.124 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.43 -41.46 97.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.285 -0.885 . . . . 0.0 108.961 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.1 -35.96 82.8 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.395 -0.815 . . . . 0.0 109.39 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -64.72 -36.33 83.93 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.133 -0.979 . . . . 0.0 109.419 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -65.22 -43.48 91.34 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.096 -1.003 . . . . 0.0 109.243 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.37 -47.32 82.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.189 -0.944 . . . . 0.0 109.511 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -60.5 -37.76 82.14 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.175 -0.953 . . . . 0.0 109.022 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.01 79.48 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 18.8 tp -60.36 -38.56 84.25 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 203' ' ' ARG . . . . . 0.405 HH21 HD21 ' A' ' 29' ' ' LEU . 95.5 mtt180 -87.39 -10.61 51.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.333 -0.854 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 CA-C-O 117.993 -1.448 . . . . 0.0 109.566 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.522 ' H3 ' ' CG ' ' A' ' 4' ' ' ASN . 64.7 mtt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.58 ' N ' ' OE2' ' A' ' 38' ' ' GLU . . . -59.3 -39.04 81.78 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.145 -0.972 . . . . 0.0 109.048 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -63.55 -38.74 92.27 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.258 -0.901 . . . . 0.0 108.845 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.522 ' CG ' ' H3 ' ' A' ' 1' ' ' MET . 2.9 m120 -57.66 -39.61 77.44 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.67 95.04 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.83 95.08 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.395 -0.816 . . . . 0.0 109.201 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.651 ' NH1' ' NH2' ' A' ' 119' ' ' ARG . 14.5 tpp85 -60.4 -39.89 88.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.253 -0.904 . . . . 0.0 109.019 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.0 -37.94 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.336 -0.853 . . . . 0.0 109.058 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.65 -40.71 85.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.97 81.45 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.391 -0.818 . . . . 0.0 108.936 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -35.45 80.87 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.44 -42.03 90.97 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.206 -0.934 . . . . 0.0 108.538 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -60.43 -38.51 84.32 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -58.25 -41.08 83.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.373 -0.829 . . . . 0.0 109.108 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -62.03 -41.46 98.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.0 109.482 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -58.61 -39.16 79.63 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.129 -0.982 . . . . 0.0 109.06 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -61.51 -32.74 72.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.427 -0.796 . . . . 0.0 109.314 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 t -84.29 -14.31 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.0 109.545 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.2 8.32 68.81 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.404 ' CD1' ' N ' ' A' ' 20' ' ' LEU . 11.0 mp -97.66 54.67 1.18 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.384 -1.068 . . . . 0.0 109.193 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.84 -22.83 35.44 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.1 mm -58.11 -48.8 83.51 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.073 -1.251 . . . . 0.0 109.831 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.446 HG23 HD12 ' A' ' 23' ' ' ILE . 23.1 mm -63.43 -42.57 96.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.042 -1.036 . . . . 0.0 108.947 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.63 -38.52 93.86 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -62.97 -47.6 82.45 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.023 -1.28 . . . . 0.0 110.641 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -59.93 -46.73 88.44 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.126 -0.984 . . . . 0.0 111.267 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.71 -33.78 76.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.677 -1.264 . . . . 0.0 110.177 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -60.19 -40.68 90.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.667 -1.271 . . . . 0.0 108.421 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.95 -42.28 93.71 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.66 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 89.5 t80 -64.47 -35.69 81.76 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.616 -0.678 . . . . 0.0 109.266 178.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.94 -45.28 86.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.335 -0.853 . . . . 0.0 109.901 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.405 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -67.08 -40.23 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 120.881 -1.137 . . . . 0.0 108.762 179.504 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 97.0 mt-10 -61.78 -35.51 78.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.948 -1.095 . . . . 0.0 108.6 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.48 -42.0 96.14 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.426 -0.796 . . . . 0.0 109.832 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.4 mt -61.44 -48.49 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.239 -0.913 . . . . 0.0 110.088 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 7.2 mp -65.19 -34.58 78.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.319 -0.863 . . . . 0.0 109.702 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.8 m -83.28 -0.21 48.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 0.0 109.354 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.58 ' OE2' ' N ' ' A' ' 2' ' ' ALA . 83.8 tt0 -96.85 150.45 20.71 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.325 -0.86 . . . . 0.0 109.701 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.7 149.45 17.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.254 -0.904 . . . . 0.0 109.526 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -58.93 138.82 57.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.359 -0.838 . . . . 0.0 110.272 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.528 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 94.5 mtt-85 -122.71 170.79 9.69 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.492 ' OG ' ' OE1' ' A' ' 44' ' ' GLU . 87.2 p -57.46 166.4 1.26 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.293 -0.88 . . . . 0.0 110.036 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.8 -30.97 64.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.555 -0.715 . . . . 0.0 110.904 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.492 ' OE1' ' OG ' ' A' ' 42' ' ' SER . 55.1 mp0 -54.79 -40.09 69.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.81 -1.181 . . . . 0.0 109.629 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.2 tpt -64.68 -37.48 87.73 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.041 -1.037 . . . . 0.0 108.898 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.7 m -59.78 -40.84 89.62 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.523 -0.735 . . . . 0.0 109.383 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.91 -44.21 96.71 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.2 -0.938 . . . . 0.0 108.92 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.2 tp -61.16 -39.67 90.98 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.293 -0.879 . . . . 0.0 108.973 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.78 90.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.366 -0.834 . . . . 0.0 109.06 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.7 m -60.76 -40.8 93.84 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.258 -0.901 . . . . 0.0 108.859 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.99 -39.52 89.97 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.368 -0.832 . . . . 0.0 109.166 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.74 -40.66 95.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.15 -0.969 . . . . 0.0 109.14 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.489 ' CD2' ' HE ' ' B' ' 198' ' ' ARG . 42.3 tp -59.94 -40.34 88.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.129 -0.982 . . . . 0.0 108.662 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -60.12 -38.45 83.05 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 59' ' ' PHE . 32.4 m -60.12 -42.56 95.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.685 -0.635 . . . . 0.0 109.427 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.7 mt -57.87 -52.28 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.149 -0.969 . . . . 0.0 108.714 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.21 -36.35 81.67 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.39 -32.88 74.54 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' THR . 77.4 t80 -58.58 -51.69 68.83 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.263 -0.898 . . . . 0.0 108.804 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HZ1' ' CD1' ' B' ' 202' ' ' LEU . 98.5 mttt -61.51 -39.24 90.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.222 -0.923 . . . . 0.0 108.909 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -82.3 -1.6 50.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.509 -0.744 . . . . 0.0 109.66 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.6 tt0 -48.43 -33.54 9.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.311 -0.868 . . . . 0.0 110.111 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.551 ' CD1' ' SD ' ' A' ' 79' ' ' MET . 85.9 mt -67.72 -41.04 84.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.015 -1.053 . . . . 0.0 109.596 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.49 -5.54 10.35 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.209 -1.557 . . . . 0.0 109.209 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 91.2 -5.24 81.27 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -66.56 -46.6 75.5 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.091 -1.241 . . . . 0.0 108.76 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.1 t -66.99 -30.88 71.11 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.521 0.677 . . . . 0.0 109.179 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.25 -28.68 69.34 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.469 -0.77 . . . . 0.0 109.886 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.97 -36.34 72.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.993 -1.067 . . . . 0.0 110.098 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -122.79 139.38 54.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.274 -0.891 . . . . 0.0 109.867 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 48.55 43.78 20.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.275 -0.891 . . . . 0.0 109.165 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -42.08 99.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.353 -0.842 . . . . 0.0 110.462 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.587 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 91.0 m-20 -60.99 -45.04 96.4 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.046 -1.034 . . . . 0.0 109.806 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -69.82 -44.42 70.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.302 -0.874 . . . . 0.0 110.513 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.8 m -61.64 -45.3 94.63 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.089 -1.007 . . . . 0.0 110.237 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 99.2 mt -68.3 -38.54 81.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.982 . . . . 0.0 110.109 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.587 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 66.6 m170 -58.07 -45.34 87.27 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.165 -0.959 . . . . 0.0 110.324 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.77 -49.55 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.049 -1.032 . . . . 0.0 110.217 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.551 ' SD ' ' CD1' ' A' ' 63' ' ' ILE . 88.8 mtp -68.07 -46.14 71.87 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.18 -0.95 . . . . 0.0 110.894 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.582 ' C ' ' HD1' ' A' ' 84' ' ' HIS . 2.7 m120 -69.13 -44.16 72.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.954 -1.091 . . . . 0.0 110.908 -178.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 88.9 m -61.86 -47.44 85.01 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.036 -1.04 . . . . 0.0 111.394 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.1 mt -73.47 -34.66 65.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.904 -1.122 . . . . 0.0 110.985 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.7 mt -80.33 -42.77 21.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 120.99 -1.069 . . . . 0.0 111.405 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.582 ' HD1' ' C ' ' A' ' 80' ' ' ASN . 74.8 m80 -71.35 -47.99 53.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.021 -1.049 . . . . 0.0 111.14 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -79.47 111.18 15.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.908 -1.12 . . . . 0.0 110.119 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -61.79 -36.48 81.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.442 -0.786 . . . . 0.0 109.848 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.524 ' OE2' ' CH2' ' A' ' 135' ' ' TRP . 76.7 mm-40 -59.66 -41.21 90.08 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.2 -0.937 . . . . 0.0 109.624 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -62.53 -34.46 76.97 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.173 -0.954 . . . . 0.0 108.651 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.2 -41.94 69.64 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.271 -0.893 . . . . 0.0 109.467 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -62.42 -48.38 79.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.184 -0.947 . . . . 0.0 109.764 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.477 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -70.19 -45.09 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.304 -0.873 . . . . 0.0 109.29 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.477 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 57.8 t80 -61.61 -46.02 91.62 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.1 -1.0 . . . . 0.0 108.483 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.8 mmm -65.56 -40.62 93.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.308 -0.87 . . . . 0.0 109.216 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.2 tp -63.93 -41.56 97.6 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.356 -0.84 . . . . 0.0 109.705 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -62.15 -43.69 98.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.353 -0.842 . . . . 0.0 109.821 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -64.16 -44.83 90.89 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.296 -0.878 . . . . 0.0 109.641 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 45.8 p -61.53 -41.87 97.98 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.284 -0.885 . . . . 0.0 109.877 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.1 ttm -59.63 -40.28 87.12 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.255 -0.903 . . . . 0.0 109.003 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 m -61.76 -40.65 95.89 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.454 -0.778 . . . . 0.0 109.295 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.49 -38.51 89.96 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.246 -0.909 . . . . 0.0 109.579 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.438 ' CE2' ' CD1' ' A' ' 105' ' ' LEU . 82.5 t80 -58.87 -48.07 82.68 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.168 -0.958 . . . . 0.0 110.111 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -65.21 -44.73 87.4 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.075 -1.016 . . . . 0.0 110.46 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.37 -41.97 98.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.233 -0.917 . . . . 0.0 110.611 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -63.22 -42.11 99.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.039 -1.038 . . . . 0.0 110.24 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.438 ' CD1' ' CE2' ' A' ' 101' ' ' TYR . 93.2 mt -57.14 -46.48 82.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.973 -1.079 . . . . 0.0 109.227 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -60.94 -40.11 92.06 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.111 -0.993 . . . . 0.0 109.618 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.0 mt-30 -64.28 -39.08 93.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.239 -0.913 . . . . 0.0 110.05 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.22 -37.46 87.56 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.86 -1.15 . . . . 0.0 109.816 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -77.07 -53.57 7.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.277 -0.889 . . . . 0.0 110.874 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -98.65 -22.8 15.74 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.222 -0.924 . . . . 0.0 110.87 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.594 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -90.04 152.13 22.06 Favored Glycine 0 N--CA 1.492 2.405 0 C-N-CA 119.581 -1.295 . . . . 0.0 110.324 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -71.22 154.47 61.71 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.809 2.339 . . . . 0.0 111.999 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.586 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 15.8 m-90 -89.66 124.09 34.28 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.159 -0.963 . . . . 0.0 109.476 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.0 m-20 -134.62 165.12 25.97 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.29 -0.881 . . . . 0.0 109.587 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.9 m -64.03 -31.3 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.375 -0.828 . . . . 0.0 109.237 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 70.0 mtm -58.87 -37.82 77.41 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.393 -0.817 . . . . 0.0 109.516 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.2 -38.62 89.86 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.112 -0.993 . . . . 0.0 109.042 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.41 -40.86 95.95 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.311 -0.868 . . . . 0.0 109.075 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.651 ' NH2' ' NH1' ' A' ' 7' ' ' ARG . 41.5 mtp180 -61.69 -39.69 92.33 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.427 -0.795 . . . . 0.0 109.432 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.523 ' HG ' ' N ' ' A' ' 121' ' ' LEU . 83.4 p -64.49 -35.23 80.28 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.313 -0.867 . . . . 0.0 109.522 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.523 ' N ' ' HG ' ' A' ' 120' ' ' SER . 96.3 mt -65.93 -41.61 91.12 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.307 -0.87 . . . . 0.0 109.504 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -60.98 -41.77 97.05 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.081 -1.012 . . . . 0.0 109.196 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.7 m -68.65 -44.02 75.0 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.237 -0.915 . . . . 0.0 109.684 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 79.2 m -59.93 -47.24 86.58 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.216 -0.928 . . . . 0.0 109.87 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.57 -37.37 74.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 121.149 -0.969 . . . . 0.0 109.229 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.55 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.2 m-20 -61.09 -40.75 94.9 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.349 -0.844 . . . . 0.0 109.585 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.71 -42.0 99.43 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.201 -0.937 . . . . 0.0 109.478 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -72.18 -43.18 64.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.299 -0.875 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.0 p -69.36 -37.62 77.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.186 -0.946 . . . . 0.0 110.233 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.66 ' SG ' ' CD1' ' A' ' 30' ' ' TYR . 76.0 m -68.87 -50.35 50.53 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.051 -1.031 . . . . 0.0 110.026 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 79.9 mt -69.05 -48.75 67.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.37 0 O-C-N 121.221 -0.924 . . . . 0.0 109.799 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 136' ' ' LYS . 43.3 tp -60.67 -41.24 94.68 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.378 -0.826 . . . . 0.0 110.005 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -60.33 -49.14 78.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.213 -0.93 . . . . 0.0 110.148 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.7 tp -63.73 -43.16 97.32 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.079 -1.013 . . . . 0.0 109.808 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.524 ' CH2' ' OE2' ' A' ' 87' ' ' GLU . 97.3 m95 -86.87 -3.1 59.03 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.252 -0.905 . . . . 0.0 110.307 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.4 OUTLIER -51.97 -34.86 44.22 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.109 -0.994 . . . . 0.0 110.217 -179.247 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.19 -27.11 68.74 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.065 -1.022 . . . . 0.0 109.083 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -90.83 -0.97 57.87 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.376 -0.827 . . . . 0.0 110.132 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.7 mm -104.12 142.71 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.172 -0.955 . . . . 0.0 109.56 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.481 ' OG ' ' OG ' ' A' ' 143' ' ' SER . 54.4 p -77.8 155.42 31.12 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.27 -0.893 . . . . 0.0 108.867 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -54.4 -44.34 72.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.104 -0.997 . . . . 0.0 109.789 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.0 m -70.24 -43.12 71.23 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.97 -1.081 . . . . 0.0 109.388 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.481 ' OG ' ' OG ' ' A' ' 140' ' ' SER . 50.1 m -58.74 -38.27 78.03 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.13 -0.981 . . . . 0.0 108.506 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.73 -38.61 91.58 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -55.74 -42.72 75.8 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.439 -0.788 . . . . 0.0 109.459 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 86.0 p -65.16 -45.46 84.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.283 -0.886 . . . . 0.0 109.462 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 49.9 mt -67.07 -41.42 86.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.221 -0.925 . . . . 0.0 108.935 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.608 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -64.62 -34.89 79.34 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.016 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -58.85 -44.8 91.09 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.395 -0.816 . . . . 0.0 108.844 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -60.21 -41.46 93.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.173 -0.954 . . . . 0.0 108.663 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.7 -41.84 89.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.531 -0.731 . . . . 0.0 109.034 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -59.14 -38.04 78.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.848 . . . . 0.0 109.256 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.39 -43.83 98.2 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.151 -0.968 . . . . 0.0 109.385 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 74.7 m -66.43 -50.98 61.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.137 -0.977 . . . . 0.0 109.108 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -64.38 -37.21 86.7 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.359 -0.838 . . . . 0.0 109.63 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 12.2 mt -58.3 -47.5 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.236 -0.915 . . . . 0.0 110.091 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.586 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 69.1 t80 -62.84 -40.63 98.03 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 47.5 tp -59.96 -41.16 91.3 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.717 -0.615 . . . . 0.0 109.634 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.3 t -63.27 -42.31 99.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.231 -0.918 . . . . 0.0 109.98 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.4 -39.59 91.3 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.121 -0.987 . . . . 0.0 109.487 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 9.6 mp -66.26 -35.66 80.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.077 -1.014 . . . . 0.0 109.148 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.42 81.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.276 -0.89 . . . . 0.0 109.097 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -81.42 -12.59 58.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.282 -0.886 . . . . 0.0 109.114 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.56 -2.29 70.18 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -94.81 140.63 29.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.266 -1.138 . . . . 0.0 109.646 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 37.8 mm . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.495 -0.753 . . . . 0.0 109.39 179.618 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.39 -41.13 93.18 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.246 -0.909 . . . . 0.0 108.943 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -62.55 -40.03 95.5 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.0 109.267 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.11 -39.52 86.47 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.381 -0.824 . . . . 0.0 109.374 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.86 89.64 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.187 -0.946 . . . . 0.0 109.138 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.15 -35.35 80.82 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.285 -0.885 . . . . 0.0 109.199 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . 0.489 ' HE ' ' CD2' ' A' ' 53' ' ' LEU . 68.0 mtp85 -62.28 -41.8 98.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.875 . . . . 0.0 109.341 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.93 -45.18 93.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.205 -0.934 . . . . 0.0 109.129 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -64.59 -39.7 94.19 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.506 -0.746 . . . . 0.0 109.555 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -68.22 -42.16 80.2 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.231 -0.918 . . . . 0.0 109.239 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 202' ' ' LEU . . . . . 0.405 ' CD1' ' HZ1' ' A' ' 60' ' ' LYS . 17.7 tp -62.32 -37.51 85.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.284 -0.885 . . . . 0.0 109.228 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -87.85 -7.91 56.58 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.334 -0.854 . . . . 0.0 109.516 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 CA-C-O 117.942 -1.477 . . . . 0.0 109.571 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.42 88.85 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.163 -0.961 . . . . 0.0 109.078 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -63.6 -37.41 87.21 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.237 -0.915 . . . . 0.0 109.024 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -56.24 -42.65 77.67 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.98 95.44 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.57 97.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.341 -0.849 . . . . 0.0 109.202 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -60.33 -38.2 83.01 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.191 -0.943 . . . . 0.0 109.066 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.69 -39.8 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.343 -0.848 . . . . 0.0 109.053 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.48 -38.87 81.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.119 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.21 95.2 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.202 -0.999 . . . . 0.0 108.562 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.572 ' HG1' ' N ' ' A' ' 12' ' ' ALA . 3.7 p -68.18 -34.18 75.81 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.572 ' N ' ' HG1' ' A' ' 11' ' ' THR . . . -58.67 -43.51 89.89 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.386 -0.821 . . . . 0.0 108.875 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -62.58 -43.35 99.03 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -61.24 -40.48 94.22 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.353 -0.842 . . . . 0.0 109.126 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.7 -41.25 97.34 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.337 -0.852 . . . . 0.0 109.031 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.486 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 21.5 t70 -58.83 -38.38 78.54 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.355 -0.841 . . . . 0.0 108.828 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -59.87 -30.36 68.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.406 -0.809 . . . . 0.0 108.826 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -83.85 -9.27 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.438 -0.789 . . . . 0.0 109.491 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.54 16.56 56.71 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' CD1' ' CZ ' ' A' ' 96' ' ' PHE . 67.4 mt -95.85 44.95 1.08 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.306 -1.114 . . . . 0.0 109.151 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.34 -34.66 54.44 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.021 -1.231 . . . . 0.0 110.021 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 mm -59.77 -48.72 86.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.026 -1.279 . . . . 0.0 109.394 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.7 mm -63.61 -43.36 98.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.307 -0.87 . . . . 0.0 108.895 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.9 -38.43 94.08 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.751 -1.339 . . . . 0.0 109.751 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -63.21 -47.54 82.09 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.043 -1.269 . . . . 0.0 110.713 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 44.6 t80 -60.84 -46.07 92.01 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.119 -0.988 . . . . 0.0 111.111 -178.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.32 -34.06 77.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.665 -1.272 . . . . 0.0 110.131 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -59.93 -39.99 87.38 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.69 -1.256 . . . . 0.0 108.071 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.83 -38.15 87.1 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.486 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 85.6 t80 -66.89 -35.76 80.74 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.452 -0.78 . . . . 0.0 109.235 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.69 92.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.315 -0.865 . . . . 0.0 110.211 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.9 p -65.75 -42.4 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.841 -1.162 . . . . 0.0 108.915 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.67 -34.83 76.42 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.894 -1.129 . . . . 0.0 108.823 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.2 tp -64.56 -45.1 88.5 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.305 -0.872 . . . . 0.0 109.977 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.59 -46.47 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.102 -0.999 . . . . 0.0 110.356 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.1 mp -62.95 -32.52 73.86 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.361 -0.837 . . . . 0.0 109.855 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.9 m -71.25 -26.37 62.87 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.153 -0.967 . . . . 0.0 109.699 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -67.81 149.94 49.25 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.166 -0.959 . . . . 0.0 110.037 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.06 151.81 14.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.405 -0.81 . . . . 0.0 108.997 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -56.45 137.16 53.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.174 -0.954 . . . . 0.0 109.506 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -122.38 170.23 10.16 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.408 0.623 . . . . 0.0 109.8 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.7 p -58.24 171.23 0.59 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.387 -0.821 . . . . 0.0 109.896 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.35 -27.3 55.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.545 -0.722 . . . . 0.0 110.774 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.09 -41.61 48.57 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.898 -1.126 . . . . 0.0 109.252 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.566 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -63.57 -37.62 87.99 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.212 -0.93 . . . . 0.0 108.649 179.024 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.0 m -59.38 -40.14 85.59 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.38 -0.825 . . . . 0.0 109.103 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.57 98.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.3 -0.875 . . . . 0.0 108.648 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.76 -36.28 83.37 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.352 -0.842 . . . . 0.0 109.048 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.57 97.23 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.301 -0.874 . . . . 0.0 108.857 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.2 m -61.11 -42.85 99.28 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.32 -0.863 . . . . 0.0 108.962 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.4 -40.06 95.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.255 -0.903 . . . . 0.0 108.979 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.1 tp -59.14 -41.62 88.73 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.21 -0.931 . . . . 0.0 109.216 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.2 tp -60.59 -40.72 92.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.28 -0.888 . . . . 0.0 108.753 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -60.25 -39.68 87.6 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.46 -0.775 . . . . 0.0 108.932 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.1 m -60.38 -42.3 95.56 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.633 -0.667 . . . . 0.0 109.7 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.407 HG23 HD13 ' A' ' 56' ' ' ILE . 81.3 mt -58.62 -52.58 58.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.104 -0.998 . . . . 0.0 109.024 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.63 -36.64 84.48 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.62 -33.47 75.73 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -59.35 -54.2 49.49 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.252 -0.905 . . . . 0.0 109.313 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -62.28 -42.84 99.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.171 -0.955 . . . . 0.0 109.388 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -82.97 -2.35 54.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.371 -0.83 . . . . 0.0 110.132 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.596 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.39 -35.49 19.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.115 -0.99 . . . . 0.0 110.008 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.408 ' CD1' ' SD ' ' A' ' 79' ' ' MET . 86.4 mt -68.74 -40.18 81.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.106 -0.996 . . . . 0.0 109.663 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.24 -5.9 83.09 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.105 -1.598 . . . . 0.0 109.105 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.68 -1.68 85.63 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.69 -46.97 80.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.033 -1.275 . . . . 0.0 109.748 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.3 m -67.57 -33.19 74.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.236 -0.915 . . . . 0.0 108.997 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 69' ' ' ALA . 96.9 mt-10 -61.21 -28.73 69.36 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.565 -0.709 . . . . 0.0 109.933 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -37.15 -35.0 0.09 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.497 -0.752 . . . . 0.0 109.953 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' GLU . 77.8 mm-40 -116.0 132.19 56.72 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.395 -0.815 . . . . 0.0 109.11 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 51.87 47.74 24.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.099 -1.0 . . . . 0.0 109.197 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.563 ' HG ' ' N ' ' A' ' 73' ' ' ASP . 79.5 p -58.84 -35.3 72.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.247 -0.908 . . . . 0.0 110.183 -179.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.563 ' N ' ' HG ' ' A' ' 72' ' ' SER . 91.1 m-20 -62.15 -43.84 97.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.087 -1.008 . . . . 0.0 110.166 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -65.84 -42.72 90.17 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.221 -0.924 . . . . 0.0 110.556 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -61.4 -45.4 94.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.044 -1.035 . . . . 0.0 109.948 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.15 -36.91 80.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 109.684 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 67.0 m170 -59.01 -45.2 91.28 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.22 -0.925 . . . . 0.0 110.266 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.0 t -67.98 -50.31 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 110.143 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.408 ' SD ' ' CD1' ' A' ' 63' ' ' ILE . 88.5 mtp -68.45 -46.74 69.0 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.096 -1.003 . . . . 0.0 110.387 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.583 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 54.2 t-20 -65.55 -42.49 91.82 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 110.825 -178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 55.1 m -70.77 -49.26 48.63 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.147 -0.97 . . . . 0.0 111.86 -178.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.2 mt -72.02 -34.14 68.6 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.875 -1.141 . . . . 0.0 111.436 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.9 mt -77.71 -35.5 21.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 120.905 -1.122 . . . . 0.0 111.008 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.583 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 79.9 m80 -90.8 -28.32 18.29 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.981 -1.075 . . . . 0.0 111.116 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.571 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 62.2 t0 -88.38 104.52 16.85 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.762 -1.211 . . . . 0.0 109.92 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -62.28 -35.09 77.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.259 -0.901 . . . . 0.0 110.423 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.24 -47.37 85.59 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.982 -1.074 . . . . 0.0 109.187 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.571 ' NZ ' ' OD2' ' A' ' 85' ' ' ASP . 49.6 mttp -70.91 -33.74 70.85 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.325 -0.86 . . . . 0.0 109.031 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.33 -45.5 69.32 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.375 -0.828 . . . . 0.0 109.845 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -62.69 -49.06 76.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.181 -0.949 . . . . 0.0 109.801 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.482 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -68.56 -45.41 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.266 -0.896 . . . . 0.0 109.198 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.482 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 62.5 t80 -62.35 -45.32 93.71 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.194 -0.941 . . . . 0.0 108.629 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CD1' ' A' ' 26' ' ' TYR . 63.8 ttp -70.06 -40.88 74.8 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.472 -0.767 . . . . 0.0 109.633 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.4 tp -61.9 -41.79 98.32 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.058 -1.026 . . . . 0.0 109.609 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -62.61 -47.99 81.38 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.164 -0.96 . . . . 0.0 109.485 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.463 ' CZ ' ' CD1' ' A' ' 20' ' ' LEU . 65.7 t80 -69.71 -46.05 66.86 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.33 -0.856 . . . . 0.0 109.313 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 93' ' ' MET . 28.5 m -58.04 -42.58 85.69 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.452 -0.78 . . . . 0.0 109.553 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.9 ttm -62.89 -41.67 99.5 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.239 -0.913 . . . . 0.0 109.2 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.1 m -64.53 -37.93 89.24 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.387 -0.821 . . . . 0.0 109.677 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.9 tp -62.27 -41.45 98.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.25 -0.906 . . . . 0.0 109.823 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.665 ' CZ ' ' SG ' ' A' ' 154' ' ' CYS . 76.8 t80 -65.44 -46.47 79.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.341 -0.849 . . . . 0.0 110.146 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -61.3 -45.72 93.31 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.155 -0.965 . . . . 0.0 109.908 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.41 -44.8 86.31 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.215 -0.928 . . . . 0.0 109.024 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.703 ' HZ1' ' HG ' ' A' ' 120' ' ' SER . 36.1 ttmt -63.27 -37.99 89.43 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.36 -0.837 . . . . 0.0 108.784 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.2 tp -55.91 -44.77 78.6 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -62.61 -38.04 88.63 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.246 -0.909 . . . . 0.0 108.784 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.6 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.7 mm-40 -60.28 -38.6 84.09 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.399 -0.813 . . . . 0.0 109.303 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.596 ' O ' ' CZ2' ' A' ' 113' ' ' TRP . 62.6 mt -64.81 -37.82 88.9 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.927 -1.108 . . . . 0.0 109.023 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -75.96 -52.8 9.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.392 -0.818 . . . . 0.0 110.844 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -92.76 -22.67 19.22 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.28 -0.888 . . . . 0.0 110.719 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -94.1 155.27 21.84 Favored Glycine 0 N--CA 1.493 2.478 0 C-N-CA 119.576 -1.297 . . . . 0.0 110.09 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -66.72 151.21 83.02 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.915 2.41 . . . . 0.0 111.941 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.596 ' CZ2' ' O ' ' A' ' 108' ' ' LEU . 20.2 m-90 -96.54 123.84 40.33 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.239 -0.913 . . . . 0.0 109.674 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 89.3 m-20 -135.03 171.86 13.83 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.421 -0.799 . . . . 0.0 109.33 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -63.75 -32.49 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.244 -0.91 . . . . 0.0 109.522 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.41 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 70.2 mtm -59.88 -38.27 81.73 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.294 -0.879 . . . . 0.0 109.385 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.5 mm? -65.35 -38.51 90.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.166 -0.958 . . . . 0.0 109.104 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -58.78 -42.95 90.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.914 . . . . 0.0 109.148 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -63.12 -39.99 96.31 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.325 -0.859 . . . . 0.0 109.522 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.703 ' HG ' ' HZ1' ' A' ' 104' ' ' LYS . 78.6 p -65.1 -35.31 80.72 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.276 -0.89 . . . . 0.0 109.618 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.85 -41.23 91.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.295 -0.878 . . . . 0.0 109.649 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -63.02 -40.96 99.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.074 -1.017 . . . . 0.0 109.613 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 74.4 m -69.23 -43.79 73.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 0.0 110.128 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.663 ' SG ' ' NZ ' ' A' ' 104' ' ' LYS . 67.5 m -65.13 -49.95 67.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.186 -0.946 . . . . 0.0 110.223 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.77 -44.08 96.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.085 -1.01 . . . . 0.0 109.681 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.427 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.2 m-20 -60.69 -38.59 85.46 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.221 -0.924 . . . . 0.0 109.388 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 38.8 tp -61.28 -42.53 98.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.406 -0.809 . . . . 0.0 109.584 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -66.18 -43.47 86.74 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.234 -0.916 . . . . 0.0 109.031 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 t -61.56 -36.77 81.55 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.343 -0.848 . . . . 0.0 109.246 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.486 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 73.3 m -60.97 -43.77 98.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.303 -0.873 . . . . 0.0 109.235 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.39 -50.41 79.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 121.255 -0.903 . . . . 0.0 110.008 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 136' ' ' LYS . 8.8 mp -67.45 -37.08 82.43 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.358 -0.838 . . . . 0.0 110.209 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -59.21 -50.16 75.09 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.192 -0.943 . . . . 0.0 110.525 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.8 tp -69.56 -43.98 71.81 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.063 -1.023 . . . . 0.0 109.702 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -87.06 4.57 41.51 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.409 -0.807 . . . . 0.0 110.04 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.9 OUTLIER -49.61 -39.91 37.2 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.238 -0.914 . . . . 0.0 109.627 -179.562 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.64 -26.14 66.92 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.16 -0.962 . . . . 0.0 110.149 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -89.12 -4.98 58.12 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.032 -1.043 . . . . 0.0 110.639 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.6 mt -112.87 145.62 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.215 -0.928 . . . . 0.0 109.531 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 54.8 p -77.81 154.98 31.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.337 -0.852 . . . . 0.0 109.37 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.25 -39.8 80.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.282 -0.886 . . . . 0.0 109.881 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.0 m -70.57 -45.35 65.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.852 -1.155 . . . . 0.0 109.759 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.6 m -63.35 -47.68 81.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.174 -0.953 . . . . 0.0 109.461 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.412 ' CG2' ' N ' ' A' ' 145' ' ' ASN . 0.6 OUTLIER -61.89 -38.73 89.44 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.27 -0.894 . . . . 0.0 108.714 179.563 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . 0.458 ' C ' HD21 ' A' ' 145' ' ' ASN . 0.2 OUTLIER -55.57 -43.62 76.08 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.307 -0.871 . . . . 0.0 109.293 179.73 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.2 m -60.95 -46.69 89.7 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.22 -0.925 . . . . 0.0 109.297 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.77 -38.52 88.35 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.611 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -61.66 -36.58 81.22 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.364 -0.835 . . . . 0.0 108.813 179.172 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -60.79 -39.9 90.6 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.23 -0.919 . . . . 0.0 109.068 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -60.92 -40.51 93.45 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.016 -1.052 . . . . 0.0 108.267 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 88.9 mt -62.01 -37.83 79.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -57.67 -41.07 80.79 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -58.3 -41.89 85.43 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . 0.665 ' SG ' ' CZ ' ' A' ' 101' ' ' TYR . 55.8 m -65.49 -50.38 65.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.446 -0.784 . . . . 0.0 109.165 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -62.65 -37.65 87.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.252 -0.905 . . . . 0.0 109.55 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 1.9 mt -58.97 -46.46 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.272 -0.892 . . . . 0.0 109.367 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.553 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 61.0 t80 -62.59 -40.06 95.69 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 18.4 tp -59.81 -40.9 89.97 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 121.622 -0.674 . . . . 0.0 109.347 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.0 t -60.91 -41.13 95.52 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.305 -0.872 . . . . 0.0 109.39 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -61.22 -39.88 91.91 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.178 -0.951 . . . . 0.0 108.853 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 72.8 mt -64.78 -34.58 78.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.242 -0.911 . . . . 0.0 108.968 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.11 -36.57 84.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.422 -0.799 . . . . 0.0 109.537 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -81.22 -12.52 59.12 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.116 -0.99 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 87.67 -5.26 85.24 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -96.07 120.56 36.57 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.142 -1.21 . . . . 0.0 109.038 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 9.7 tp . . . . . 0 N--CA 1.488 1.449 0 O-C-N 120.973 -1.079 . . . . 0.0 110.289 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.76 -41.6 95.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.246 -0.909 . . . . 0.0 109.114 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -62.34 -43.63 98.38 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.343 -0.848 . . . . 0.0 109.243 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.28 -41.09 96.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.336 -0.852 . . . . 0.0 109.451 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.06 88.24 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.243 -0.911 . . . . 0.0 109.312 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -65.27 -35.33 80.7 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.207 -0.933 . . . . 0.0 109.196 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -60.21 -43.6 95.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.311 -0.868 . . . . 0.0 109.258 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.85 -41.15 97.87 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.214 -0.929 . . . . 0.0 109.407 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -59.08 -38.55 79.73 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.282 -0.886 . . . . 0.0 109.268 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.39 88.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.255 -0.903 . . . . 0.0 108.917 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.53 -38.8 85.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.39 -0.819 . . . . 0.0 109.273 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -87.66 -8.88 55.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.375 -0.828 . . . . 0.0 109.408 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 CA-C-O 118.045 -1.42 . . . . 0.0 109.587 179.843 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.44 ' C ' ' OE2' ' A' ' 38' ' ' GLU . 64.9 mtt . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.334 0.588 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.561 ' N ' ' OE2' ' A' ' 38' ' ' GLU . . . -58.82 -38.44 78.66 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.126 -0.984 . . . . 0.0 109.176 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.2 p -63.91 -37.97 89.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.114 -0.991 . . . . 0.0 109.305 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.36 -42.06 90.72 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.66 92.68 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.68 -45.19 95.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.419 -0.801 . . . . 0.0 109.567 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.646 ' NH2' ' SG ' ' A' ' 123' ' ' CYS . 0.1 OUTLIER -60.38 -39.91 88.96 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.229 -0.92 . . . . 0.0 108.719 179.776 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.57 -38.43 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.477 -0.764 . . . . 0.0 109.625 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.71 -40.26 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.131 -0.98 . . . . 0.0 108.688 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.23 -42.92 87.97 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.337 -0.852 . . . . 0.0 109.054 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.77 -33.76 75.46 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.214 -0.929 . . . . 0.0 108.734 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.61 95.39 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.218 -0.926 . . . . 0.0 108.793 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -61.7 -39.91 93.14 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -59.06 -41.36 87.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.426 -0.796 . . . . 0.0 109.303 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.98 -40.04 96.55 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.344 -0.848 . . . . 0.0 109.557 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -58.34 -39.54 79.74 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.084 -1.01 . . . . 0.0 108.562 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -61.88 -29.66 70.35 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.494 -0.754 . . . . 0.0 109.02 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -84.01 -11.04 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.483 -0.761 . . . . 0.0 109.541 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.68 14.95 58.97 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.919 -1.273 . . . . 0.0 109.919 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 3.9 mm? -95.44 54.62 1.62 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.215 -1.167 . . . . 0.0 108.975 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.98 -30.65 66.94 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.5 mm -58.44 -48.85 84.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 121.117 -1.225 . . . . 0.0 109.803 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.0 mm -63.3 -42.16 95.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.23 -0.919 . . . . 0.0 108.868 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.23 -42.67 97.36 Favored Glycine 0 N--CA 1.487 2.036 0 N-CA-C 109.866 -1.294 . . . . 0.0 109.866 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -60.85 -48.45 81.75 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.945 -1.327 . . . . 0.0 110.596 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 48.2 t80 -67.25 -45.21 77.35 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.956 -1.09 . . . . 0.0 110.551 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.488 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -68.79 -36.47 78.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.975 -1.078 . . . . 0.0 110.408 -178.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' NE2' ' CG2' ' A' ' 55' ' ' THR . 90.7 mt-30 -61.76 -40.48 95.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.684 -1.26 . . . . 0.0 108.797 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.8 mt -62.01 -39.01 90.81 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -66.44 -35.89 81.42 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.179 -0.95 . . . . 0.0 109.167 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.6 93.48 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.363 -0.835 . . . . 0.0 110.263 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.66 -41.91 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.824 -1.172 . . . . 0.0 109.017 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.45 -34.87 76.15 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.969 -1.082 . . . . 0.0 108.775 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.4 tp -64.33 -45.4 88.01 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.309 -0.869 . . . . 0.0 109.948 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.479 ' CG2' ' SD ' ' A' ' 45' ' ' MET . 82.5 mt -61.31 -44.65 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.243 -0.91 . . . . 0.0 110.467 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.405 ' N ' ' CD1' ' A' ' 36' ' ' LEU . 6.3 mp -62.65 -32.68 73.77 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.365 -0.834 . . . . 0.0 110.061 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.1 p -71.54 -25.71 62.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.01 -1.057 . . . . 0.0 109.748 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.561 ' OE2' ' N ' ' A' ' 2' ' ' ALA . 98.8 mt-10 -69.17 149.97 48.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.289 -0.882 . . . . 0.0 110.296 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.19 151.53 15.44 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -57.03 135.95 56.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -0.998 . . . . 0.0 109.637 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -122.36 170.97 9.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.735 -0.603 . . . . 0.0 109.53 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.9 t -56.82 171.85 0.3 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.298 -0.876 . . . . 0.0 109.813 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.99 -28.09 55.69 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.515 -0.74 . . . . 0.0 110.88 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.49 -44.44 55.88 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.689 -1.257 . . . . 0.0 109.198 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.576 ' O ' ' SD ' ' A' ' 45' ' ' MET . 7.4 tmm? -66.01 -38.06 87.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.18 -0.95 . . . . 0.0 108.751 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.9 m -59.43 -40.12 85.75 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.318 -0.864 . . . . 0.0 109.128 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.85 99.68 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.319 -0.863 . . . . 0.0 108.875 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.17 -36.92 85.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.368 -0.832 . . . . 0.0 109.242 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.52 97.66 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.266 -0.896 . . . . 0.0 109.125 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 m -61.87 -41.48 97.91 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.284 -0.885 . . . . 0.0 109.451 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.95 -42.48 99.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.24 -0.913 . . . . 0.0 109.492 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.6 tp -59.61 -41.87 91.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.189 -0.944 . . . . 0.0 109.22 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.8 tp -61.69 -38.45 87.86 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.29 -0.881 . . . . 0.0 108.941 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -59.39 -40.66 87.27 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.448 ' CG2' ' NE2' ' A' ' 28' ' ' GLN . 45.6 m -60.57 -42.9 97.6 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.551 -0.718 . . . . 0.0 109.293 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.7 mt -62.36 -53.09 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.296 -0.877 . . . . 0.0 109.453 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -61.73 -38.88 89.55 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.216 -0.927 . . . . 0.0 108.529 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.592 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.87 -30.96 68.54 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.469 -0.769 . . . . 0.0 108.996 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -58.9 -54.41 47.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.243 -0.911 . . . . 0.0 109.538 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -63.02 -41.67 99.6 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.007 -1.058 . . . . 0.0 109.455 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -82.53 -2.79 54.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.319 -0.863 . . . . 0.0 109.9 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.6 tt0 -49.75 -35.27 21.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.241 -0.912 . . . . 0.0 109.75 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -77.64 -40.84 28.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.173 -0.954 . . . . 0.0 109.829 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.76 2.61 51.88 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.97 -8.25 67.71 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -68.01 -45.47 73.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.272 -1.134 . . . . 0.0 109.65 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.2 t -61.37 -31.39 71.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.365 -0.834 . . . . 0.0 109.338 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.26 -31.72 67.69 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.288 -0.882 . . . . 0.0 109.167 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' GLU . . . -55.86 149.51 14.75 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.064 -1.022 . . . . 0.0 109.323 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 69' ' ' ALA . 66.3 mm-40 59.0 115.18 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.45 -0.781 . . . . 0.0 109.899 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 53.08 47.33 24.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.224 -0.922 . . . . 0.0 109.587 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.4 p -60.41 -35.42 75.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.18 -0.95 . . . . 0.0 110.175 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.06 -44.11 97.88 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.938 -1.101 . . . . 0.0 110.054 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -69.11 -43.94 73.44 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.19 -0.944 . . . . 0.0 110.765 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.473 ' HG ' ' N ' ' A' ' 76' ' ' LEU . 85.8 p -64.15 -42.28 96.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.088 -1.007 . . . . 0.0 110.117 -179.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.473 ' N ' ' HG ' ' A' ' 75' ' ' SER . 95.3 mt -68.24 -37.67 81.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.298 -0.876 . . . . 0.0 109.84 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.42 ' O ' ' OG1' ' A' ' 81' ' ' THR . 76.1 t60 -61.02 -45.69 93.78 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.311 -0.868 . . . . 0.0 110.142 -179.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.0 t -68.99 -49.56 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.053 -1.029 . . . . 0.0 110.063 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.6 mmm -67.78 -46.49 71.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.162 -0.961 . . . . 0.0 110.36 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.597 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 58.3 t-20 -69.35 -46.39 67.11 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.167 -0.958 . . . . 0.0 111.634 -178.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 37.2 m -65.61 -49.07 70.09 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.037 -1.039 . . . . 0.0 112.071 -177.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.6 mt -70.82 -34.04 71.3 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.912 -1.117 . . . . 0.0 111.347 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.4 mt -79.26 -42.32 23.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 120.839 -1.163 . . . . 0.0 111.332 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.597 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 66.9 m80 -74.75 -47.93 28.47 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.11 -0.994 . . . . 0.0 111.57 -178.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -83.0 112.41 19.74 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.837 -1.164 . . . . 0.0 110.237 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.84 -37.51 84.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.5 -0.75 . . . . 0.0 110.304 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.36 -41.49 93.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.144 -0.973 . . . . 0.0 109.647 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -62.82 -32.15 73.29 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.246 -0.909 . . . . 0.0 108.702 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.08 -44.87 64.85 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.368 -0.832 . . . . 0.0 110.077 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -63.42 -48.81 76.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.003 -1.061 . . . . 0.0 110.511 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.6 pp -62.4 -41.16 90.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.018 -1.051 . . . . 0.0 108.596 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.417 ' HH ' ' CD1' ' A' ' 20' ' ' LEU . 67.4 t80 -62.77 -45.6 91.91 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 79.6 mtp -68.0 -40.7 83.0 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.378 -0.826 . . . . 0.0 109.792 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.2 tp -60.41 -40.39 90.79 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.148 -0.97 . . . . 0.0 108.771 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -62.31 -43.36 99.0 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.411 -0.806 . . . . 0.0 109.245 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -64.13 -42.73 96.7 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.503 -0.748 . . . . 0.0 109.595 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.1 p -61.4 -41.88 97.84 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.254 -0.904 . . . . 0.0 109.824 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 95.8 mmm -62.99 -42.59 99.88 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.19 -0.944 . . . . 0.0 109.457 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.581 ' HG ' ' N ' ' A' ' 100' ' ' LEU . 84.9 p -75.31 -38.7 60.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.248 -0.908 . . . . 0.0 109.462 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.581 ' N ' ' HG ' ' A' ' 99' ' ' SER . 29.3 tp -69.01 -43.57 74.53 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.313 -0.867 . . . . 0.0 109.761 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.555 ' OH ' ' SG ' ' A' ' 154' ' ' CYS . 76.7 t80 -63.21 -45.43 91.73 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.304 -0.872 . . . . 0.0 109.962 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -59.79 -41.83 92.04 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.249 -0.907 . . . . 0.0 109.716 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -61.67 -41.23 97.26 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 109.674 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.582 ' NZ ' ' O ' ' A' ' 120' ' ' SER . 25.8 mttt -61.59 -41.23 97.13 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.113 -0.992 . . . . 0.0 109.933 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.32 -43.2 92.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.054 -1.029 . . . . 0.0 109.089 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -63.16 -38.6 91.8 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.277 -0.89 . . . . 0.0 109.469 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.59 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.0 mt-30 -62.22 -40.01 94.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.916 . . . . 0.0 109.979 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 68.2 mt -65.67 -38.43 89.29 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.021 -1.05 . . . . 0.0 109.304 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -78.16 -52.98 7.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.871 . . . . 0.0 110.21 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -83.57 -23.05 32.14 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.39 -0.819 . . . . 0.0 110.503 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -105.51 155.39 16.93 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 110.209 -1.156 . . . . 0.0 110.209 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -67.78 154.12 73.95 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.868 2.379 . . . . 0.0 111.93 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.589 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 23.8 m-90 -89.83 117.31 28.57 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.264 -0.897 . . . . 0.0 109.565 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 88.1 m-20 -135.08 170.08 16.45 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.327 -0.858 . . . . 0.0 109.367 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.7 m -64.15 -32.09 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.223 -0.923 . . . . 0.0 109.526 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.9 mtm -59.52 -38.33 80.71 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.303 -0.873 . . . . 0.0 109.575 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.5 mm? -65.25 -37.92 88.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.168 -0.957 . . . . 0.0 108.957 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -59.87 -42.05 92.87 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.341 -0.849 . . . . 0.0 109.271 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -63.07 -42.28 99.63 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.306 -0.871 . . . . 0.0 109.368 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.582 ' O ' ' NZ ' ' A' ' 104' ' ' LYS . 22.6 m -62.89 -39.85 95.76 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.369 -0.832 . . . . 0.0 109.469 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.81 -42.23 98.76 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.396 -0.815 . . . . 0.0 109.398 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -60.49 -38.26 83.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.162 -0.961 . . . . 0.0 109.165 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.646 ' SG ' ' NH2' ' A' ' 7' ' ' ARG . 74.0 m -61.8 -44.28 97.18 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.254 -0.904 . . . . 0.0 109.367 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -47.81 82.79 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.211 -0.93 . . . . 0.0 109.499 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.7 mt -60.08 -36.81 69.93 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.148 -0.97 . . . . 0.0 108.711 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.75 -40.63 88.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.306 -0.871 . . . . 0.0 109.269 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.565 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 83.5 mt -62.14 -41.6 98.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.221 -0.924 . . . . 0.0 109.138 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -68.82 -42.6 77.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.306 -0.871 . . . . 0.0 109.905 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.3 t -61.85 -42.97 99.69 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.241 -0.912 . . . . 0.0 110.487 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.565 ' SG ' ' O ' ' A' ' 127' ' ' LEU . 29.3 p -68.75 -49.65 57.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.038 -1.039 . . . . 0.0 110.487 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.515 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 85.5 mt -63.41 -50.48 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 O-C-N 120.962 -1.086 . . . . 0.0 110.393 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 136' ' ' LYS . 90.9 mt -64.68 -38.82 92.3 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -0.892 . . . . 0.0 110.342 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -59.4 -49.52 77.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.115 -0.991 . . . . 0.0 110.177 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 37.4 tp -66.0 -42.78 89.29 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.079 -1.013 . . . . 0.0 109.618 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -87.03 0.08 55.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.394 -0.816 . . . . 0.0 110.344 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.0 OUTLIER -52.73 -36.56 57.78 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.061 -1.024 . . . . 0.0 110.078 -179.297 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -62.45 -25.69 68.11 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.183 -0.948 . . . . 0.0 109.247 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -89.62 -3.66 58.17 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.306 -0.871 . . . . 0.0 109.964 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.7 mm -105.38 141.19 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.218 -0.926 . . . . 0.0 109.376 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 48.9 m -77.33 155.23 32.13 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -54.62 -43.24 72.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.961 -1.087 . . . . 0.0 109.404 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 29.8 m -70.76 -43.29 69.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.941 -1.099 . . . . 0.0 108.714 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 44.0 m -59.08 -37.84 78.07 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.433 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -62.71 -39.0 92.64 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.774 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . 0.411 ' N ' HG23 ' A' ' 144' ' ' THR . 20.1 t-20 -57.67 -41.63 81.94 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.499 -0.75 . . . . 0.0 109.226 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 18.8 t -61.91 -50.92 70.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.37 -0.831 . . . . 0.0 109.537 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 51.9 mt -64.79 -43.51 92.96 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.232 -0.917 . . . . 0.0 108.812 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.596 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -64.94 -33.32 75.75 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.094 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -60.18 -45.21 93.9 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.261 -0.9 . . . . 0.0 109.22 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -61.48 -42.6 99.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.135 -0.978 . . . . 0.0 108.619 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.2 -39.76 83.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -57.93 -40.05 79.52 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -58.4 -43.24 88.48 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . 0.555 ' SG ' ' OH ' ' A' ' 101' ' ' TYR . 7.2 m -62.09 -50.51 71.64 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -62.48 -33.94 75.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.333 -0.855 . . . . 0.0 109.442 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 17.2 mt -58.03 -49.11 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 O-C-N 121.17 -0.956 . . . . 0.0 110.179 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.589 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 61.8 t80 -63.92 -40.14 95.79 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.05 -1.031 . . . . 0.0 108.306 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 35.9 tp -59.15 -41.47 88.44 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.675 -0.641 . . . . 0.0 109.543 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 85.6 p -64.35 -38.02 89.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.136 -0.978 . . . . 0.0 109.211 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -62.59 -39.23 93.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.148 -0.97 . . . . 0.0 109.207 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.74 -36.9 85.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.079 -1.013 . . . . 0.0 108.741 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.4 -37.18 84.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.351 -0.843 . . . . 0.0 109.154 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -81.87 -10.51 59.28 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.26 -0.9 . . . . 0.0 109.375 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 90.38 2.58 73.3 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -94.61 140.73 29.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.299 -1.118 . . . . 0.0 109.717 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 35.3 mm . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.41 -0.806 . . . . 0.0 109.438 179.633 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.49 -40.67 92.18 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.346 -0.846 . . . . 0.0 108.962 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -61.67 -40.09 93.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.407 -0.808 . . . . 0.0 109.194 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 24.6 tp -59.43 -42.51 92.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.259 -0.9 . . . . 0.0 109.092 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.29 90.24 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.259 -0.901 . . . . 0.0 109.173 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 197' ' ' GLN . . . . . 0.409 ' HA ' ' HE ' ' B' ' 200' ' ' ARG . 49.8 tt0 -65.23 -35.83 82.26 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.202 -0.936 . . . . 0.0 109.275 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -62.53 -43.03 99.81 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.25 -0.906 . . . . 0.0 109.272 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 4.1 tp -63.33 -45.09 92.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.287 -0.883 . . . . 0.0 109.602 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 200' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' B' ' 197' ' ' GLN . 78.9 mtm180 -60.05 -37.22 79.19 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.144 -0.973 . . . . 0.0 109.022 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.23 80.17 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 23.6 tp -60.49 -39.18 86.76 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.431 -0.793 . . . . 0.0 108.975 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -87.48 -9.78 53.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.364 -0.835 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 CA-C-O 117.975 -1.458 . . . . 0.0 109.522 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.375 0.607 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.477 ' CB ' ' NH1' ' A' ' 41' ' ' ARG . . . -59.56 -36.97 77.22 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.149 -0.97 . . . . 0.0 109.071 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -63.37 -39.84 95.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.209 -0.932 . . . . 0.0 109.186 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -58.16 -44.18 87.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.102 -0.999 . . . . 0.0 108.419 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.69 93.32 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.57 92.5 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.452 -0.78 . . . . 0.0 109.106 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.417 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.33 -42.63 96.05 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.497 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.23 -39.11 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.335 -0.853 . . . . 0.0 109.439 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.85 -39.55 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.248 -0.908 . . . . 0.0 108.692 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.87 91.34 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.388 -0.82 . . . . 0.0 108.919 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -34.05 70.44 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.385 -0.822 . . . . 0.0 108.869 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.89 87.08 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.226 -0.921 . . . . 0.0 108.933 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -62.46 -40.46 96.71 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -60.11 -38.73 83.87 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.492 -0.755 . . . . 0.0 109.048 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.11 -44.59 97.12 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.431 -0.793 . . . . 0.0 109.356 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -58.94 -38.93 80.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.0 109.071 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -60.51 -29.72 69.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.473 -0.767 . . . . 0.0 109.418 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.8 t -83.67 -8.81 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.311 -0.868 . . . . 0.0 109.697 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.39 16.91 56.45 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.7 mt -95.58 50.2 1.22 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.273 -1.133 . . . . 0.0 109.026 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.94 -34.66 57.89 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.7 mm -61.63 -52.76 57.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 O-C-N 121.094 -1.239 . . . . 0.0 109.157 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.417 HD12 HG21 ' A' ' 23' ' ' ILE . 21.6 mm -65.64 -41.66 91.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 O-C-N 121.32 -0.862 . . . . 0.0 108.904 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.21 -38.76 93.65 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -65.66 -48.41 72.21 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.202 -1.175 . . . . 0.0 110.75 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 67.7 t80 -63.52 -47.37 81.92 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.036 -1.04 . . . . 0.0 110.886 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 pp -68.12 -30.45 69.6 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.858 -1.151 . . . . 0.0 109.183 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.599 ' NE2' ' CD1' ' A' ' 52' ' ' LEU . 55.8 tp60 -60.1 -41.63 92.95 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.09 -38.07 84.97 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.498 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 79.8 t80 -63.81 -38.31 90.63 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.282 -0.886 . . . . 0.0 109.538 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.09 -46.17 90.26 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.152 -0.968 . . . . 0.0 110.419 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.4 p -62.26 -37.1 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.786 -1.196 . . . . 0.0 108.858 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.92 -34.73 75.13 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.89 -1.131 . . . . 0.0 108.638 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.418 ' CD2' ' CE2' ' A' ' 30' ' ' TYR . 3.8 mm? -65.7 -42.54 91.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.258 -0.901 . . . . 0.0 109.42 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.9 -48.39 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 O-C-N 121.121 -0.987 . . . . 0.0 110.047 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.2 mp -65.97 -35.04 79.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.23 -0.918 . . . . 0.0 109.384 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -81.37 -0.9 43.37 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.913 . . . . 0.0 109.11 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.474 ' OE2' ' CB ' ' A' ' 2' ' ' ALA . 84.5 tt0 -90.29 149.7 22.23 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.39 -0.819 . . . . 0.0 109.724 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.14 150.56 17.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.389 -0.819 . . . . 0.0 109.549 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -58.4 133.08 55.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.897 . . . . 0.0 109.869 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.477 ' NH1' ' CB ' ' A' ' 2' ' ' ALA . 67.0 mtp180 -121.85 170.73 9.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.72 -0.612 . . . . 0.0 109.582 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.8 p -57.51 171.35 0.45 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.403 -0.811 . . . . 0.0 110.086 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.496 ' O ' ' OG1' ' A' ' 46' ' ' THR . 93.9 mt-30 -56.17 -27.84 55.86 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.636 -0.665 . . . . 0.0 110.878 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -52.03 -41.15 62.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.698 -1.251 . . . . 0.0 109.262 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.581 ' O ' ' SD ' ' A' ' 45' ' ' MET . 4.5 tmm? -66.85 -37.87 85.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.109 -0.995 . . . . 0.0 109.128 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.554 ' HG1' ' N ' ' A' ' 47' ' ' ALA . 36.3 p -61.09 -37.65 83.48 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.26 -0.9 . . . . 0.0 109.192 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.554 ' N ' ' HG1' ' A' ' 46' ' ' THR . . . -64.52 -44.85 89.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.271 -0.893 . . . . 0.0 108.723 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.43 -37.22 86.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.345 -0.847 . . . . 0.0 109.105 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.14 94.21 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.129 -0.982 . . . . 0.0 108.761 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -60.88 -40.89 94.73 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.322 -0.861 . . . . 0.0 109.133 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.28 -40.81 95.51 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.267 -0.896 . . . . 0.0 109.576 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.599 ' CD1' ' NE2' ' A' ' 28' ' ' GLN . 3.8 mm? -60.47 -43.59 96.76 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.117 -0.989 . . . . 0.0 109.639 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.9 -39.03 90.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.065 -1.022 . . . . 0.0 109.063 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -59.92 -40.58 89.37 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.1 m -60.57 -42.33 96.43 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.6 -0.688 . . . . 0.0 109.536 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 77.7 mt -58.84 -52.01 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.108 -0.995 . . . . 0.0 108.928 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.588 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.6 mt-10 -61.73 -36.39 80.82 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -65.48 -33.41 75.86 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -58.78 -52.21 66.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 108.802 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -61.37 -38.94 88.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.245 -0.91 . . . . 0.0 108.9 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -82.14 -1.12 47.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.377 -0.827 . . . . 0.0 109.459 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.9 tt0 -48.19 -31.78 6.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.305 -0.872 . . . . 0.0 110.556 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.453 ' C ' ' H ' ' A' ' 65' ' ' GLY . 84.8 mt -67.01 -41.34 87.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 120.907 -1.121 . . . . 0.0 109.539 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.9 -5.27 8.06 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 94.08 -6.58 72.66 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.71 -46.77 80.9 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.153 -1.204 . . . . 0.0 109.696 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 70' ' ' GLU . 17.6 m -65.18 -32.58 74.34 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.195 -0.941 . . . . 0.0 108.784 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.04 -28.33 68.98 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.588 -0.695 . . . . 0.0 109.669 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.34 94.23 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.904 -1.122 . . . . 0.0 110.154 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.5 mt-10 -135.14 145.36 47.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.156 -0.965 . . . . 0.0 109.996 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 48.75 42.49 19.84 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.221 -0.925 . . . . 0.0 109.166 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.7 p -63.82 -37.28 86.78 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.322 -0.861 . . . . 0.0 110.156 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.51 -42.48 98.87 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.082 -1.011 . . . . 0.0 109.87 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -66.93 -46.82 73.58 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.255 -0.903 . . . . 0.0 110.798 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.612 ' HG ' ' N ' ' A' ' 76' ' ' LEU . 85.6 p -65.25 -42.69 93.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.946 -1.096 . . . . 0.0 109.872 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.612 ' N ' ' HG ' ' A' ' 75' ' ' SER . 95.5 mt -68.47 -38.12 80.77 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.354 -0.841 . . . . 0.0 109.956 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -59.97 -45.65 91.99 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.418 -0.801 . . . . 0.0 110.29 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.15 -50.21 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.038 -1.039 . . . . 0.0 109.999 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 88.2 mtp -68.61 -46.33 69.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.945 . . . . 0.0 110.618 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.694 ' ND2' ' CE1' ' A' ' 84' ' ' HIS . 18.3 t-20 -65.23 -45.26 85.34 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.197 -0.939 . . . . 0.0 111.042 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.9 m -68.42 -49.03 62.92 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.135 -0.978 . . . . 0.0 111.917 -178.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 60.8 mt -72.76 -33.89 66.64 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.851 -1.156 . . . . 0.0 111.581 -178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.5 mt -79.04 -42.4 23.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 120.867 -1.145 . . . . 0.0 111.09 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.694 ' CE1' ' ND2' ' A' ' 80' ' ' ASN . 80.6 m80 -75.91 -48.18 22.36 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.995 -1.065 . . . . 0.0 110.854 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -82.85 106.27 14.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.853 -1.155 . . . . 0.0 109.776 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.62 -35.66 78.52 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.403 -0.811 . . . . 0.0 109.929 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.66 -43.44 93.94 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.158 -0.964 . . . . 0.0 109.745 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -62.46 -35.85 80.59 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.46 -38.93 71.24 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.181 -0.949 . . . . 0.0 109.51 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -58.48 -48.47 80.67 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.228 -0.92 . . . . 0.0 110.747 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.609 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -72.51 -37.95 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.841 -1.162 . . . . 0.0 109.117 -179.495 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.609 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 59.5 t80 -62.14 -44.44 96.62 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.999 -1.063 . . . . 0.0 108.156 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 69.9 mtm -69.59 -39.28 77.4 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.511 -0.743 . . . . 0.0 109.501 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.438 ' O ' ' OG1' ' A' ' 97' ' ' THR . 34.0 tp -61.47 -41.98 98.08 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 121.179 -0.951 . . . . 0.0 109.425 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -63.22 -43.72 97.29 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.222 -0.924 . . . . 0.0 109.537 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.53 -42.96 99.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.242 -0.911 . . . . 0.0 109.662 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 94' ' ' LEU . 66.2 p -58.43 -43.2 88.65 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.265 -0.897 . . . . 0.0 109.849 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 89.2 mtp -63.0 -43.52 98.56 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.21 -0.931 . . . . 0.0 109.373 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.2 p -71.74 -37.65 70.53 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.238 -0.914 . . . . 0.0 109.178 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.0 tp -64.82 -41.91 95.38 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.282 -0.886 . . . . 0.0 109.152 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.668 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 90.1 t80 -61.71 -43.07 99.57 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.4 -0.812 . . . . 0.0 109.811 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -58.54 -41.59 85.89 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.186 -0.947 . . . . 0.0 109.439 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.84 -40.82 96.64 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.347 -0.845 . . . . 0.0 109.621 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -61.74 -40.88 96.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.151 -0.968 . . . . 0.0 109.68 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 80.5 mt -58.51 -45.41 88.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.134 -0.979 . . . . 0.0 108.86 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -61.19 -38.62 87.2 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.135 -0.978 . . . . 0.0 109.613 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -62.5 -41.03 98.54 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.24 -0.912 . . . . 0.0 109.985 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 74.5 mt -65.41 -37.86 88.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.119 -0.988 . . . . 0.0 109.062 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -78.03 -53.04 7.87 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.568 -0.707 . . . . 0.0 110.34 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -82.89 -22.97 33.78 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.44 -0.787 . . . . 0.0 110.438 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.73 155.22 17.82 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -69.03 154.18 71.05 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.807 2.338 . . . . 0.0 111.908 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.584 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 13.8 m-90 -90.51 112.97 24.84 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.256 -0.903 . . . . 0.0 109.761 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.2 m-20 -135.14 173.42 11.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.384 -0.823 . . . . 0.0 109.183 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.415 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.2 m -62.3 -33.1 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.135 -0.978 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.415 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.0 mtm -60.23 -38.03 82.13 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.325 -0.859 . . . . 0.0 109.462 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.6 mm? -64.51 -39.11 93.17 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.125 -0.985 . . . . 0.0 109.155 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -59.66 -42.13 92.16 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.228 -0.92 . . . . 0.0 109.158 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -62.43 -39.24 92.69 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.382 -0.824 . . . . 0.0 109.532 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.6 m -62.01 -40.89 97.23 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.319 -0.863 . . . . 0.0 109.86 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 78.3 mt -63.66 -41.45 98.2 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.262 -0.899 . . . . 0.0 109.457 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -60.81 -37.91 83.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.118 -0.989 . . . . 0.0 109.461 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 77.9 m -63.1 -46.11 88.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.219 -0.926 . . . . 0.0 109.691 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 80.1 m -62.65 -46.28 88.95 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.122 -0.986 . . . . 0.0 109.736 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.51 -38.08 76.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.223 -0.923 . . . . 0.0 109.112 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.561 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 89.9 m-20 -61.56 -40.8 96.04 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.355 -0.84 . . . . 0.0 109.847 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.48 -44.0 97.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.155 -0.966 . . . . 0.0 109.768 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -70.89 -43.04 69.18 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.274 -0.891 . . . . 0.0 109.748 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.468 ' HG ' ' N ' ' A' ' 130' ' ' CYS . 86.1 p -65.46 -34.76 79.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.871 . . . . 0.0 110.053 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' A' ' 126' ' ' ASP . 73.0 m -68.45 -49.69 58.06 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.111 -0.993 . . . . 0.0 109.72 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 82.9 mt -66.93 -47.74 81.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 O-C-N 121.184 -0.948 . . . . 0.0 109.719 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.585 ' O ' ' N ' ' A' ' 136' ' ' LYS . 42.9 tp -61.82 -39.86 93.27 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.392 -0.818 . . . . 0.0 109.872 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -59.84 -49.38 77.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.162 -0.961 . . . . 0.0 109.956 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 34.2 tp -65.58 -42.24 91.96 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.184 -0.948 . . . . 0.0 109.648 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -86.76 -3.27 59.03 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.363 -0.835 . . . . 0.0 110.274 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.585 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -49.8 -38.94 36.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.171 -0.955 . . . . 0.0 109.787 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -64.19 -26.0 68.32 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.193 -0.942 . . . . 0.0 109.428 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -89.66 -3.63 58.15 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.204 -0.935 . . . . 0.0 110.369 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.5 mm -104.92 147.3 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.101 -0.999 . . . . 0.0 109.169 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.642 ' HG ' ' H ' ' A' ' 143' ' ' SER . 55.2 p -77.18 155.36 32.31 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -0.908 . . . . 0.0 109.081 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -58.12 -38.59 76.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.162 -0.961 . . . . 0.0 109.835 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 41.5 m -74.13 -45.22 50.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.811 -1.18 . . . . 0.0 109.61 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.642 ' H ' ' HG ' ' A' ' 140' ' ' SER . 33.1 t -63.32 -45.63 90.41 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.179 -0.95 . . . . 0.0 109.784 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.579 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.8 OUTLIER -63.53 -39.06 93.43 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.002 -1.061 . . . . 0.0 108.747 179.572 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . 0.428 ' N ' ' CG2' ' A' ' 144' ' ' THR . 0.6 OUTLIER -55.73 -42.73 75.78 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.293 -0.879 . . . . 0.0 108.908 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.3 m -61.48 -42.96 99.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.301 -0.874 . . . . 0.0 109.192 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 54.5 mt -61.69 -39.12 90.32 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.609 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -62.36 -35.64 79.77 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.007 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -61.85 -39.75 92.93 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.292 -0.88 . . . . 0.0 109.246 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -62.15 -42.65 99.46 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.078 -1.014 . . . . 0.0 108.288 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 92.4 mt -65.4 -38.42 82.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -58.46 -40.86 83.8 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -58.55 -43.15 89.22 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . 0.668 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 28.7 m -62.03 -50.27 72.69 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -63.38 -33.45 75.57 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.402 -0.811 . . . . 0.0 109.516 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 14.6 mt -57.93 -48.81 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 O-C-N 121.21 -0.931 . . . . 0.0 109.813 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.584 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 73.2 t80 -63.7 -42.26 98.01 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 40.6 tp -60.79 -41.34 95.41 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.722 -0.611 . . . . 0.0 109.414 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.4 t -62.81 -40.86 98.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.301 -0.875 . . . . 0.0 109.663 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -61.43 -39.06 89.39 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.108 -0.995 . . . . 0.0 109.144 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 8.9 mp -64.58 -35.95 82.65 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.162 -0.961 . . . . 0.0 108.85 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.18 -37.23 84.49 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.338 -0.851 . . . . 0.0 108.947 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -81.85 -10.75 59.22 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.31 -0.869 . . . . 0.0 109.266 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.45 -0.47 71.2 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.8 143.56 26.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.192 -1.181 . . . . 0.0 109.756 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 40.8 mm . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.531 -0.73 . . . . 0.0 109.348 179.516 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -63.17 -39.49 94.8 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.305 -0.872 . . . . 0.0 109.105 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -60.65 -43.68 97.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.332 -0.855 . . . . 0.0 109.357 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.15 -42.38 98.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.26 -0.9 . . . . 0.0 109.127 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.93 92.25 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.258 -0.901 . . . . 0.0 109.077 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.37 -35.45 81.01 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.228 -0.92 . . . . 0.0 109.107 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . 0.588 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 59.9 ttt-85 -61.13 -43.4 98.95 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.235 -0.915 . . . . 0.0 109.131 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 5.5 tp -61.48 -44.28 97.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.359 -0.838 . . . . 0.0 108.891 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -59.17 -37.6 77.74 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.61 -34.81 78.71 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.24 -39.3 82.32 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.453 -0.78 . . . . 0.0 108.914 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -97.02 -0.44 47.3 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.393 -0.817 . . . . 0.0 109.472 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.322 0.582 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.15 78.55 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.202 -0.936 . . . . 0.0 109.066 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -64.02 -38.39 90.89 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.257 -0.902 . . . . 0.0 109.355 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -58.82 -41.21 86.3 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.47 94.31 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.62 95.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.393 -0.817 . . . . 0.0 109.64 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.42 ' CZ ' ' SG ' ' A' ' 123' ' ' CYS . 0.0 OUTLIER -60.43 -42.48 96.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.05 -1.031 . . . . 0.0 108.564 179.732 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.75 -36.67 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.403 -0.81 . . . . 0.0 109.224 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.52 -39.29 80.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.229 -0.919 . . . . 0.0 108.643 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.5 -45.17 84.61 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.275 -0.89 . . . . 0.0 109.056 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -32.69 74.35 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.659 ' CB ' HE21 ' A' ' 28' ' ' GLN . . . -60.0 -43.29 95.28 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.336 -0.853 . . . . 0.0 108.899 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -61.46 -40.97 96.42 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.78 -39.0 83.43 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.425 -0.797 . . . . 0.0 108.908 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -61.26 -42.43 98.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.401 -0.812 . . . . 0.0 109.174 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.82 -38.73 79.31 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.253 -0.905 . . . . 0.0 108.86 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -59.93 -30.85 69.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.499 -0.751 . . . . 0.0 109.08 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.6 t -84.1 -8.72 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.446 -0.784 . . . . 0.0 109.644 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.49 17.1 55.86 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.5 mt -95.72 48.7 1.14 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -1.052 . . . . 0.0 108.953 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.0 -27.9 62.93 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.3 mm -58.17 -54.85 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 120.871 -1.37 . . . . 0.0 109.945 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.8 mp -65.76 -35.07 74.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.093 -1.004 . . . . 0.0 109.451 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.96 -42.64 96.93 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -65.01 -48.77 72.73 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.034 -1.274 . . . . 0.0 110.46 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.489 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 71.5 m-85 -72.08 -41.01 67.85 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.072 -1.018 . . . . 0.0 110.798 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.515 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -67.87 -36.41 80.21 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.808 -1.183 . . . . 0.0 109.404 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.659 HE21 ' CB ' ' A' ' 12' ' ' ALA . 79.3 mm-40 -64.41 -39.72 94.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.895 -1.128 . . . . 0.0 108.924 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.1 mt -60.17 -38.43 83.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.124 -0.985 . . . . 0.0 108.358 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -65.93 -36.05 82.29 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.28 -0.887 . . . . 0.0 109.264 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.05 -46.02 92.38 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.267 -0.896 . . . . 0.0 110.231 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -64.7 -44.41 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 120.823 -1.173 . . . . 0.0 108.894 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -61.08 -34.66 75.27 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.98 -1.075 . . . . 0.0 108.646 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' O ' ' OG ' ' A' ' 37' ' ' SER . 37.6 tp -63.96 -44.59 92.3 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.321 -0.862 . . . . 0.0 109.809 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.28 -43.05 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.228 -0.92 . . . . 0.0 110.085 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mp -61.16 -31.94 71.67 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.35 -0.844 . . . . 0.0 109.446 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 34' ' ' LEU . 83.9 p -71.52 -23.95 61.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.162 -0.961 . . . . 0.0 109.335 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.92 150.89 48.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.345 -0.847 . . . . 0.0 109.764 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.14 151.43 12.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.324 -0.86 . . . . 0.0 109.013 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -56.93 136.56 55.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.192 -0.943 . . . . 0.0 109.926 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -122.35 170.97 9.41 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.5 m -57.0 170.46 0.44 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.29 -0.881 . . . . 0.0 109.753 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -55.92 -26.17 46.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.551 -0.718 . . . . 0.0 110.842 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.25 -41.86 63.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.728 -1.232 . . . . 0.0 109.328 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.577 ' O ' ' SD ' ' A' ' 45' ' ' MET . 8.4 tmm? -66.14 -38.64 88.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.091 -1.006 . . . . 0.0 108.797 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.5 m -59.53 -40.19 86.39 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.331 -0.855 . . . . 0.0 109.306 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.45 99.62 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.361 -0.837 . . . . 0.0 108.997 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.07 -36.73 84.98 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.413 -0.804 . . . . 0.0 109.319 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.44 98.21 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.255 -0.903 . . . . 0.0 109.187 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.6 m -61.83 -41.4 97.75 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.374 -0.829 . . . . 0.0 109.443 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.6 -41.92 98.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.262 -0.899 . . . . 0.0 109.528 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.5 tp -60.21 -42.26 94.77 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.15 -0.969 . . . . 0.0 109.379 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.4 tp -61.4 -38.93 88.86 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.137 -0.977 . . . . 0.0 108.819 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -59.79 -39.26 84.37 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 59' ' ' PHE . 46.0 m -60.21 -41.97 94.13 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.564 -0.71 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 91.9 mt -58.56 -51.96 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.17 -0.956 . . . . 0.0 108.948 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.527 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.7 mt-10 -63.03 -36.67 84.34 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 178.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.604 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -68.56 -31.37 70.54 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' THR . 58.6 t80 -58.71 -54.05 51.48 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.182 -0.949 . . . . 0.0 109.266 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -61.44 -43.72 98.37 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.116 -0.99 . . . . 0.0 109.511 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -83.19 -1.98 54.39 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.391 -0.818 . . . . 0.0 110.422 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.604 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.7 tt0 -48.93 -35.7 15.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.028 -1.045 . . . . 0.0 110.05 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.435 HD13 HG22 ' A' ' 63' ' ' ILE . 89.1 mt -68.97 -40.95 81.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.081 -1.012 . . . . 0.0 109.916 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.28 -5.43 72.59 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.37 -5.72 82.62 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -66.24 -47.0 75.2 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.125 -1.221 . . . . 0.0 109.903 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m -67.17 -34.23 77.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.233 -0.917 . . . . 0.0 109.192 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' ALA . 96.9 mt-10 -61.92 -29.75 70.43 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.517 -0.739 . . . . 0.0 109.835 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -40.0 -36.08 0.44 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 0.0 109.879 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -111.85 131.82 55.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.445 -0.784 . . . . 0.0 109.149 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 51.82 47.1 25.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 109.216 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 t -57.46 -39.21 75.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.866 . . . . 0.0 110.371 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.483 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 90.8 m-20 -59.71 -43.05 94.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.087 -1.008 . . . . 0.0 110.328 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -65.94 -42.02 90.55 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.133 -0.979 . . . . 0.0 110.386 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.631 ' HG ' ' N ' ' A' ' 76' ' ' LEU . 86.6 p -65.2 -42.66 93.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.015 -1.053 . . . . 0.0 109.997 -179.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.631 ' N ' ' HG ' ' A' ' 75' ' ' SER . 96.3 mt -68.4 -37.98 80.87 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.322 -0.861 . . . . 0.0 109.833 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 65.7 m170 -60.19 -45.2 93.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.281 -0.887 . . . . 0.0 110.448 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.48 -49.8 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.167 -0.958 . . . . 0.0 110.404 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.403 ' SD ' ' CD1' ' A' ' 63' ' ' ILE . 88.6 mtp -68.13 -46.64 70.3 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.137 -0.977 . . . . 0.0 110.959 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.421 ' HA ' ' HD1' ' A' ' 84' ' ' HIS . 15.6 m120 -67.81 -40.24 83.87 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.978 -1.076 . . . . 0.0 111.146 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 90.0 m -69.22 -49.92 52.04 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.053 -1.029 . . . . 0.0 111.887 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.489 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 77.4 mt -74.51 -33.93 62.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.821 -1.174 . . . . 0.0 111.56 -178.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.3 mt -77.08 -35.63 23.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 120.834 -1.166 . . . . 0.0 111.025 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.421 ' HD1' ' HA ' ' A' ' 80' ' ' ASN . 77.3 m80 -89.7 -30.89 17.76 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.869 -1.144 . . . . 0.0 111.167 -178.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -85.64 108.79 18.17 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.747 -1.22 . . . . 0.0 109.737 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -62.09 -39.22 91.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.515 -0.741 . . . . 0.0 111.175 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.69 -47.64 80.36 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.96 -1.088 . . . . 0.0 110.574 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -63.23 -32.69 74.16 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.131 -0.981 . . . . 0.0 108.991 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.61 -44.9 80.83 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.332 -0.855 . . . . 0.0 110.221 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.474 ' HZ1' ' CB ' ' A' ' 135' ' ' TRP . 16.6 tttp -63.52 -48.34 77.94 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.973 -1.079 . . . . 0.0 111.215 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.616 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -65.25 -38.66 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.67 -1.269 . . . . 0.0 109.206 -178.816 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.616 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 45.0 t80 -63.34 -43.46 97.65 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.6 mtp -70.42 -42.6 71.4 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.598 -0.689 . . . . 0.0 109.65 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -39.03 89.69 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -60.85 -45.74 93.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.378 -0.826 . . . . 0.0 109.679 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -65.29 -47.2 77.45 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.275 -0.891 . . . . 0.0 109.824 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.1 p -60.99 -40.17 92.44 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.251 -0.906 . . . . 0.0 109.748 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.1 ttp -60.36 -40.14 89.69 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.179 -0.95 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.0 p -64.93 -36.25 83.77 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.315 -0.866 . . . . 0.0 109.654 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.82 -40.3 87.99 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.152 -0.967 . . . . 0.0 109.827 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.496 ' OH ' ' CD2' ' A' ' 153' ' ' TYR . 78.1 t80 -61.42 -48.71 79.96 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.961 -1.087 . . . . 0.0 109.681 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -67.67 -45.74 74.35 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.31 -0.869 . . . . 0.0 110.519 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -65.13 -46.79 79.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.124 -0.985 . . . . 0.0 110.422 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -65.35 -37.1 86.03 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.017 -1.052 . . . . 0.0 109.312 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.7 tp -55.96 -50.51 70.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 0.0 109.499 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -62.14 -39.26 91.98 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.113 -0.992 . . . . 0.0 110.101 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.597 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.2 mt-30 -60.42 -40.48 91.17 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.146 -0.971 . . . . 0.0 109.963 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.42 -37.79 86.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.959 -1.088 . . . . 0.0 109.41 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -75.94 -52.74 9.63 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.373 -0.83 . . . . 0.0 110.313 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -86.12 -22.88 26.85 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.362 -0.836 . . . . 0.0 110.612 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -101.45 155.18 18.98 Favored Glycine 0 N--CA 1.494 2.532 0 C-N-CA 119.666 -1.254 . . . . 0.0 110.272 -179.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -69.28 154.37 69.73 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.942 2.428 . . . . 0.0 112.054 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -92.81 123.92 36.43 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.099 -1.001 . . . . 0.0 109.631 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -134.43 164.37 27.6 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.298 -0.876 . . . . 0.0 108.979 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.419 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.2 m -62.16 -33.1 56.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.073 -1.017 . . . . 0.0 109.146 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.419 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.6 mtm -60.48 -42.86 97.13 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.386 -0.821 . . . . 0.0 109.443 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.55 -37.56 87.06 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.329 -0.857 . . . . 0.0 109.375 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -57.97 -44.42 87.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.285 -0.884 . . . . 0.0 109.031 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -62.67 -38.7 91.36 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.401 -0.812 . . . . 0.0 109.186 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.1 m -61.82 -40.02 93.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.346 -0.846 . . . . 0.0 109.665 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.42 -41.29 96.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.219 -0.926 . . . . 0.0 109.601 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -60.83 -39.5 89.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.098 -1.001 . . . . 0.0 109.583 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.42 ' SG ' ' CZ ' ' A' ' 7' ' ' ARG . 73.9 m -62.33 -43.9 97.75 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.115 -0.99 . . . . 0.0 108.909 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 75.1 m -58.96 -45.4 90.6 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.233 -0.917 . . . . 0.0 109.026 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 95.4 mt -60.61 -36.86 73.14 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 O-C-N 121.331 -0.855 . . . . 0.0 109.261 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -58.6 -41.63 86.27 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.278 -0.889 . . . . 0.0 109.014 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.25 -42.62 99.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.112 -0.993 . . . . 0.0 109.099 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -64.66 -42.49 95.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.15 -0.968 . . . . 0.0 109.394 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.502 ' HG ' ' N ' ' A' ' 130' ' ' CYS . 85.8 p -65.71 -35.44 80.77 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.292 -0.88 . . . . 0.0 109.657 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.502 ' N ' ' HG ' ' A' ' 129' ' ' SER . 0.0 OUTLIER -68.98 -49.88 53.97 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.114 -0.991 . . . . 0.0 109.509 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 77.9 mt -66.84 -45.33 87.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.382 -0.824 . . . . 0.0 109.461 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 16.8 tp -60.71 -41.45 95.24 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.315 -0.865 . . . . 0.0 110.202 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -66.95 -49.55 65.13 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.14 -0.975 . . . . 0.0 111.088 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.65 -46.27 83.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.966 -1.084 . . . . 0.0 110.635 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.474 ' CB ' ' HZ1' ' A' ' 90' ' ' LYS . 5.0 m-90 -87.49 4.94 41.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.168 -0.957 . . . . 0.0 110.479 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -43.18 36.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.047 -1.033 . . . . 0.0 109.893 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.39 -21.71 64.68 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.213 -0.93 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 135' ' ' TRP . 30.8 m-80 -89.57 -4.76 57.72 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.267 -0.895 . . . . 0.0 110.447 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.1 mt -111.72 143.86 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.88 . . . . 0.0 109.856 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.498 ' N ' ' OG ' ' A' ' 143' ' ' SER . 54.6 p -77.73 155.71 31.07 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.4 -0.812 . . . . 0.0 109.517 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.23 -43.16 87.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.21 -0.931 . . . . 0.0 109.835 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 31.0 m -69.89 -43.93 70.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.837 -1.164 . . . . 0.0 108.629 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' A' ' 140' ' ' SER . 79.9 p -60.3 -32.89 71.64 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.26 -38.81 91.47 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 178.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -56.49 -42.82 78.96 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.495 -0.753 . . . . 0.0 109.145 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.3 t -62.53 -51.11 68.71 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.431 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 52.5 mt -64.42 -40.98 96.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.285 -0.884 . . . . 0.0 108.899 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.606 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -65.75 -33.25 75.43 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.19 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.98 -45.1 93.83 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.399 -0.813 . . . . 0.0 109.135 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -62.84 -41.95 99.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.177 -0.952 . . . . 0.0 108.64 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.9 -38.55 80.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -58.35 -40.34 81.96 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . 0.496 ' CD2' ' OH ' ' A' ' 101' ' ' TYR . 71.4 t80 -58.33 -43.2 88.13 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 97.7 m -64.66 -50.15 68.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.376 -0.827 . . . . 0.0 108.836 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -60.65 -36.03 77.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.291 -0.881 . . . . 0.0 108.857 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 17.2 mt -58.52 -43.76 87.7 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 O-C-N 121.398 -0.814 . . . . 0.0 109.731 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.28 -43.75 97.03 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.256 -0.903 . . . . 0.0 109.489 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 80.9 mt -59.95 -38.94 83.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.175 -0.953 . . . . 0.0 109.627 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.0 m -63.16 -43.84 97.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.119 -0.988 . . . . 0.0 109.948 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -62.07 -39.45 92.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.124 -0.985 . . . . 0.0 109.601 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 99.0 mt -63.05 -36.65 84.28 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.178 -0.951 . . . . 0.0 109.083 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.11 -37.44 87.46 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.27 -0.894 . . . . 0.0 109.133 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -82.88 -7.74 59.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.253 -0.905 . . . . 0.0 109.317 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.84 5.84 73.4 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.659 -1.377 . . . . 0.0 109.659 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.56 144.81 25.28 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.269 -1.136 . . . . 0.0 109.752 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 35.3 mm . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.511 -0.743 . . . . 0.0 109.383 179.846 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.485 1.306 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.69 -41.25 94.76 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.274 -0.891 . . . . 0.0 108.947 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -62.27 -40.18 95.36 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.342 -0.849 . . . . 0.0 109.313 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.04 -42.44 85.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.362 -0.836 . . . . 0.0 109.213 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.67 90.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.258 -0.901 . . . . 0.0 109.228 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -65.32 -35.57 81.38 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.226 -0.922 . . . . 0.0 109.251 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . 0.527 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 73.2 ttt180 -60.58 -42.82 97.44 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.254 -0.904 . . . . 0.0 109.089 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.86 -45.3 94.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 0.0 109.076 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -60.91 -37.08 81.0 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.334 -0.854 . . . . 0.0 109.221 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.96 -37.53 86.23 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.269 -0.895 . . . . 0.0 108.857 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 9.6 tp -60.98 -38.49 86.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.356 -0.84 . . . . 0.0 109.067 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -87.59 -8.49 56.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.26 -0.9 . . . . 0.0 109.482 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 117.995 -1.447 . . . . 0.0 109.532 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mtp . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.345 0.593 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.408 ' CB ' HH11 ' A' ' 41' ' ' ARG . . . -59.2 -39.88 84.02 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.135 -0.978 . . . . 0.0 109.178 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.7 p -64.03 -37.93 89.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.286 -0.884 . . . . 0.0 109.101 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -58.59 -39.35 80.12 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.68 94.21 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.25 -42.97 96.43 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.475 -0.766 . . . . 0.0 109.379 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.426 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.44 -41.29 93.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.168 -0.958 . . . . 0.0 108.803 179.565 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -63.86 -38.16 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.402 -0.811 . . . . 0.0 109.676 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.45 -39.79 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.219 -0.926 . . . . 0.0 108.695 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.46 94.91 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.347 -0.845 . . . . 0.0 108.848 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -33.75 72.11 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.27 -44.96 84.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.219 -0.926 . . . . 0.0 108.65 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -64.01 -41.16 97.56 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.432 -0.792 . . . . 0.0 109.224 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -59.73 -43.56 94.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.332 -0.855 . . . . 0.0 109.767 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.89 -41.28 97.7 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.349 -0.844 . . . . 0.0 109.587 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.492 ' OD2' ' OE1' ' A' ' 62' ' ' GLU . 55.4 t0 -58.92 -37.96 77.86 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.14 -0.975 . . . . 0.0 108.887 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -60.67 -31.0 70.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.44 -0.787 . . . . 0.0 109.204 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.9 t -84.24 -2.49 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.325 -0.859 . . . . 0.0 109.573 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.3 8.36 68.55 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.4 mt -95.86 33.62 1.65 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.508 -0.995 . . . . 0.0 109.041 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.71 -31.8 16.33 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.4 mm -58.69 -49.06 83.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 121.112 -1.228 . . . . 0.0 109.396 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.6 mm -64.45 -45.14 96.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.21 -0.932 . . . . 0.0 109.011 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.11 -36.56 89.09 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -64.79 -48.0 76.04 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.379 -1.071 . . . . 0.0 111.086 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.6 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 78.9 t80 -62.84 -47.43 83.44 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.968 -1.083 . . . . 0.0 111.172 -178.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.19 -32.08 73.57 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.769 -1.207 . . . . 0.0 108.866 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -60.13 -40.98 91.65 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.71 -37.34 81.38 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.591 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 79.7 t80 -65.26 -36.19 83.34 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.36 -0.838 . . . . 0.0 109.094 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.96 -46.01 92.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.275 -0.89 . . . . 0.0 110.21 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -64.86 -41.96 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 120.81 -1.181 . . . . 0.0 108.861 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.41 -35.28 77.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.898 -1.126 . . . . 0.0 108.81 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.9 tp -63.86 -42.13 97.61 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.421 -0.799 . . . . 0.0 109.786 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.44 -48.1 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.17 -0.956 . . . . 0.0 109.833 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.5 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.6 mp -64.4 -34.55 78.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.363 -0.836 . . . . 0.0 109.266 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.8 m -83.55 -0.16 49.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.228 -0.92 . . . . 0.0 108.767 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -89.19 150.25 22.76 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.606 -0.684 . . . . 0.0 109.629 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.67 150.52 15.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.32 -0.863 . . . . 0.0 109.171 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -57.84 136.09 56.94 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.921 . . . . 0.0 109.967 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.408 HH11 ' CB ' ' A' ' 2' ' ' ALA . 76.5 mtp180 -122.54 169.9 10.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.702 -0.624 . . . . 0.0 109.421 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.2 t -58.07 171.32 0.55 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.239 -0.913 . . . . 0.0 109.901 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.488 ' O ' ' OG1' ' A' ' 46' ' ' THR . 94.4 mt-30 -56.54 -27.71 58.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.517 -0.739 . . . . 0.0 110.571 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.41 -40.13 49.22 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.745 -1.222 . . . . 0.0 109.444 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.574 ' O ' ' SD ' ' A' ' 45' ' ' MET . 10.7 tmm? -64.53 -37.32 87.14 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.177 -0.952 . . . . 0.0 109.353 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' A' ' 43' ' ' GLN . 37.2 p -60.53 -38.52 84.7 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.236 -0.915 . . . . 0.0 109.163 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.62 94.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.239 -0.913 . . . . 0.0 108.704 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.02 -35.79 81.86 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.351 -0.843 . . . . 0.0 109.211 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.73 99.45 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.216 -0.927 . . . . 0.0 109.183 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -61.27 -42.63 98.96 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.216 -0.928 . . . . 0.0 109.015 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.27 -39.12 91.88 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.244 -0.91 . . . . 0.0 108.967 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.75 -41.61 86.94 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.319 -0.863 . . . . 0.0 109.121 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 tp -61.15 -41.57 96.99 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.889 . . . . 0.0 108.781 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -61.06 -39.37 89.59 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.554 ' O ' ' N ' ' A' ' 59' ' ' PHE . 44.2 m -60.17 -40.65 90.71 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.645 -0.659 . . . . 0.0 109.821 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.9 mt -60.99 -55.23 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.194 -0.942 . . . . 0.0 109.551 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.25 -39.13 92.25 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.185 -0.947 . . . . 0.0 108.631 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.7 -30.33 67.95 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 55' ' ' THR . 2.0 t80 -60.29 -54.42 45.97 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.306 -0.871 . . . . 0.0 109.347 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.414 ' NZ ' ' CG2' ' A' ' 83' ' ' ILE . 31.2 mttt -60.2 -45.97 91.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.135 -0.978 . . . . 0.0 109.447 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -83.56 -1.77 54.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.343 -0.848 . . . . 0.0 110.816 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.6 tt0 -48.9 -36.42 17.12 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.935 -1.103 . . . . 0.0 109.81 -178.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.3 mt -71.57 -37.62 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.062 -1.024 . . . . 0.0 109.383 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.0 -6.34 35.27 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.19 -5.4 85.19 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -67.93 -47.33 69.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.149 -1.207 . . . . 0.0 109.263 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.7 t -69.39 -42.42 75.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.585 -0.697 . . . . 0.0 109.554 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.601 ' O ' ' N ' ' A' ' 70' ' ' GLU . 78.8 mm-40 -65.23 -34.88 79.42 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.406 -0.809 . . . . 0.0 109.14 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.566 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . 11.06 -76.21 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.202 0 CA-C-O 121.4 0.619 . . . . 0.0 111.711 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.601 ' N ' ' O ' ' A' ' 68' ' ' GLU . 71.9 mm-40 -57.34 135.76 56.53 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.365 -0.834 . . . . 0.0 109.158 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 47.84 45.5 18.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.047 -1.033 . . . . 0.0 108.909 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -57.4 -39.26 75.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.407 -0.808 . . . . 0.0 110.31 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -59.63 -44.17 93.57 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.042 -1.036 . . . . 0.0 109.593 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -62.39 -40.18 95.63 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.262 -0.899 . . . . 0.0 109.324 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.485 ' OG ' ' OE1' ' A' ' 68' ' ' GLU . 20.2 m -60.97 -41.67 96.84 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.306 -0.871 . . . . 0.0 109.881 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.72 -38.81 89.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.151 -0.968 . . . . 0.0 108.916 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.601 ' ND1' ' HG1' ' A' ' 81' ' ' THR . 24.5 t-80 -61.19 -43.51 98.76 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.407 -0.808 . . . . 0.0 109.683 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.19 -49.05 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.205 -0.934 . . . . 0.0 110.028 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 70.9 mtm -66.95 -46.01 76.04 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.994 -1.066 . . . . 0.0 109.812 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.583 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 88.5 m-20 -70.03 -44.17 69.81 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.144 -0.973 . . . . 0.0 110.84 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.601 ' HG1' ' ND1' ' A' ' 77' ' ' HIS . 61.6 m -64.18 -49.09 73.44 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.102 -0.999 . . . . 0.0 111.852 -178.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.1 mt -71.63 -34.3 69.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.781 -1.2 . . . . 0.0 110.853 -178.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.414 ' CG2' ' NZ ' ' A' ' 60' ' ' LYS . 86.3 mt -79.46 -42.1 22.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 O-C-N 121.01 -1.056 . . . . 0.0 111.239 -178.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.583 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 43.0 m80 -67.97 -44.99 75.42 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.961 -1.087 . . . . 0.0 111.506 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -80.09 109.41 14.52 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.755 -1.216 . . . . 0.0 110.271 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.494 ' CG ' ' N ' ' A' ' 87' ' ' GLU . 9.9 pt20 -62.57 -41.88 99.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.6 -0.687 . . . . 0.0 110.721 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' CG ' ' A' ' 86' ' ' GLN . 77.7 mm-40 -64.54 -40.23 95.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.134 -0.979 . . . . 0.0 109.483 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -60.69 -30.89 70.21 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.87 -42.51 69.98 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.452 -0.78 . . . . 0.0 109.015 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -63.18 -48.77 76.98 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.992 -1.067 . . . . 0.0 110.411 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.7 pp -64.15 -40.07 87.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 120.989 -1.07 . . . . 0.0 108.423 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -66.99 -46.98 72.91 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.6 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 70.0 mtm -68.38 -38.92 81.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.368 -0.833 . . . . 0.0 109.814 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.1 tp -60.61 -41.42 94.74 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.015 -1.053 . . . . 0.0 108.956 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -63.75 -43.47 96.35 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.349 -0.844 . . . . 0.0 109.202 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -63.61 -43.19 97.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.53 -0.731 . . . . 0.0 109.641 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.4 p -62.08 -43.82 98.0 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.234 -0.916 . . . . 0.0 109.784 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 95.9 mmm -64.46 -43.1 95.28 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.219 -0.925 . . . . 0.0 109.242 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.8 t -70.6 -42.45 70.98 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.353 -0.842 . . . . 0.0 109.656 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 31.6 tp -64.7 -40.45 95.39 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.368 -0.832 . . . . 0.0 109.689 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.664 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 80.0 t80 -63.0 -44.15 96.81 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.265 -0.897 . . . . 0.0 109.798 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -58.88 -42.1 88.7 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.328 -0.857 . . . . 0.0 109.763 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.45 -38.38 89.56 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.283 -0.886 . . . . 0.0 109.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -63.31 -42.23 99.0 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.215 -0.928 . . . . 0.0 109.668 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.13 -45.68 83.32 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.092 -1.005 . . . . 0.0 109.03 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -61.01 -39.24 88.96 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.227 -0.92 . . . . 0.0 109.293 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.599 ' O ' ' N ' ' A' ' 111' ' ' GLY . 59.2 tp60 -62.63 -41.2 98.89 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.436 -0.79 . . . . 0.0 109.821 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.39 -37.6 88.08 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.009 -1.057 . . . . 0.0 109.927 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -77.85 -52.82 8.28 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.314 -0.866 . . . . 0.0 110.812 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -94.8 -22.72 17.88 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.301 -0.874 . . . . 0.0 110.72 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -94.24 153.11 20.95 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 119.514 -1.327 . . . . 0.0 110.232 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -70.34 154.23 65.62 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.844 2.363 . . . . 0.0 111.944 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.519 ' HE1' ' HH ' ' A' ' 157' ' ' TYR . 23.1 m-90 -90.41 121.97 32.86 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.117 -0.989 . . . . 0.0 109.657 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.5 m-20 -134.7 164.51 27.35 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.302 -0.874 . . . . 0.0 109.348 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.8 m -63.93 -31.65 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.297 -0.877 . . . . 0.0 109.108 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.8 mtm -59.41 -40.11 85.61 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.416 -0.803 . . . . 0.0 109.683 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.11 -37.92 89.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.096 -1.002 . . . . 0.0 109.237 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -61.25 -41.7 97.37 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.257 -0.902 . . . . 0.0 109.397 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -62.17 -43.01 99.78 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.314 -0.866 . . . . 0.0 109.509 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 t -63.99 -37.43 87.4 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.355 -0.841 . . . . 0.0 109.412 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -42.5 96.35 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.378 -0.826 . . . . 0.0 109.037 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -63.63 -40.21 96.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.135 -0.978 . . . . 0.0 109.411 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.547 ' SG ' ' N ' ' A' ' 124' ' ' CYS . 0.1 OUTLIER -65.56 -41.03 93.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.946 . . . . 0.0 109.429 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.547 ' N ' ' SG ' ' A' ' 123' ' ' CYS . 0.1 OUTLIER -62.04 -49.34 76.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.191 -0.943 . . . . 0.0 109.749 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.58 -41.71 88.9 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 O-C-N 121.09 -1.006 . . . . 0.0 109.533 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.562 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.7 m-20 -59.51 -39.55 84.2 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.286 -0.884 . . . . 0.0 109.582 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.54 -46.92 86.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.249 -0.907 . . . . 0.0 109.621 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -71.74 -43.68 65.41 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.318 -0.864 . . . . 0.0 109.699 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.594 ' OG ' ' CE1' ' A' ' 133' ' ' HIS . 11.2 t -64.84 -40.08 94.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.416 -0.803 . . . . 0.0 110.343 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.591 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 77.4 m -66.04 -49.85 66.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.081 -1.012 . . . . 0.0 110.307 -179.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 73.1 mt -60.16 -46.44 94.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.11 -0.994 . . . . 0.0 109.499 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 136' ' ' LYS . 23.0 tp -61.53 -37.45 83.8 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.509 -0.745 . . . . 0.0 109.481 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.594 ' CE1' ' OG ' ' A' ' 129' ' ' SER . 63.6 m170 -57.82 -47.99 81.03 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.299 -0.875 . . . . 0.0 110.226 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.06 -47.19 84.03 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.053 -1.029 . . . . 0.0 109.938 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.452 ' CH2' ' NE2' ' A' ' 86' ' ' GLN . 23.2 m95 -88.94 4.36 48.31 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.41 -0.806 . . . . 0.0 110.589 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 132' ' ' LEU . 1.9 tptp -52.79 -35.36 56.55 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.165 -0.959 . . . . 0.0 109.477 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -63.09 -25.7 68.49 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.166 -0.959 . . . . 0.0 109.286 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -89.55 -1.39 58.02 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.248 -0.907 . . . . 0.0 110.054 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.8 mm -102.76 139.48 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.148 -0.97 . . . . 0.0 109.535 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.489 ' OG ' ' OG ' ' A' ' 143' ' ' SER . 53.8 p -77.86 155.45 30.99 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.329 -0.857 . . . . 0.0 108.952 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.99 -43.89 70.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.08 -1.013 . . . . 0.0 109.749 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 29.3 m -69.94 -43.5 71.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.909 -1.119 . . . . 0.0 109.439 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.489 ' OG ' ' OG ' ' A' ' 140' ' ' SER . 37.8 m -58.92 -40.5 84.72 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.571 ' OG1' ' NE2' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -61.4 -38.66 87.88 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.735 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . 0.41 ' N ' HG23 ' A' ' 144' ' ' THR . 18.5 t-20 -56.7 -41.99 78.35 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.506 -0.746 . . . . 0.0 109.452 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.1 m -62.55 -51.1 68.73 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.236 -0.915 . . . . 0.0 109.591 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 147' ' ' LEU . 9.7 mp -66.21 -42.57 88.57 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.171 -0.955 . . . . 0.0 109.048 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.607 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -63.01 -35.24 79.56 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.319 -0.863 . . . . 0.0 108.735 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -59.51 -43.46 93.38 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -60.34 -39.6 87.68 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.278 -0.889 . . . . 0.0 108.933 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 36.5 mm -61.29 -42.44 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.302 -0.874 . . . . 0.0 109.163 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -58.7 -37.99 77.29 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.176 -0.953 . . . . 0.0 109.111 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -60.83 -43.02 98.81 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.218 -0.926 . . . . 0.0 108.875 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . 0.664 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 33.4 m -67.57 -50.65 57.43 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.341 -0.85 . . . . 0.0 109.043 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -63.45 -35.96 82.16 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.401 -0.812 . . . . 0.0 109.532 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 10.9 mt -58.7 -48.75 84.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 O-C-N 121.27 -0.894 . . . . 0.0 110.045 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.519 ' HH ' ' HE1' ' A' ' 113' ' ' TRP . 68.8 t80 -63.94 -41.18 97.68 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.03 -1.044 . . . . 0.0 108.351 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 39.4 tp -59.01 -41.17 87.09 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.599 -0.688 . . . . 0.0 109.505 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.6 m -61.9 -40.96 97.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.155 -0.965 . . . . 0.0 109.187 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -61.58 -38.67 88.39 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.358 -0.839 . . . . 0.0 109.387 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.03 -36.69 84.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.035 -1.041 . . . . 0.0 108.641 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.58 83.08 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.357 -0.84 . . . . 0.0 108.952 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -81.55 -11.99 58.97 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.339 -0.85 . . . . 0.0 109.371 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.14 1.13 72.95 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -94.76 141.94 28.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.275 -1.132 . . . . 0.0 109.758 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 34.2 mm . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.408 -0.808 . . . . 0.0 109.321 179.705 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.94 -40.07 94.26 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.221 -0.924 . . . . 0.0 109.058 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -60.89 -43.09 98.97 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 109.44 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 42.9 tp -60.13 -40.41 89.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.292 -0.88 . . . . 0.0 109.455 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.06 94.87 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.227 -0.92 . . . . 0.0 109.032 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -64.95 -34.93 79.6 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.351 -0.843 . . . . 0.0 109.132 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -60.2 -44.12 95.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.25 -0.906 . . . . 0.0 109.132 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 3.3 tp -62.46 -42.4 99.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.263 -0.898 . . . . 0.0 108.96 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -59.0 -36.33 74.72 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.391 -0.818 . . . . 0.0 109.047 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.27 85.96 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 13.2 tp -59.97 -38.98 84.09 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.41 -0.806 . . . . 0.0 108.878 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -87.72 -8.23 56.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.368 -0.833 . . . . 0.0 109.493 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.278 0.561 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.17 -40.45 85.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.19 -0.944 . . . . 0.0 109.206 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -63.44 -38.51 91.43 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.207 -0.933 . . . . 0.0 109.035 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -57.34 -40.04 77.15 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.16 -0.963 . . . . 0.0 108.411 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.66 94.2 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.73 88.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.433 -0.792 . . . . 0.0 109.646 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -60.62 -39.7 89.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.066 -1.021 . . . . 0.0 109.323 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.01 -39.72 84.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.279 -0.888 . . . . 0.0 109.442 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.93 -41.62 89.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.167 -0.958 . . . . 0.0 108.492 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.15 80.12 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.336 -0.852 . . . . 0.0 109.056 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -35.37 80.87 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.47 92.8 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.174 -0.954 . . . . 0.0 108.879 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -60.89 -39.31 88.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.341 -0.849 . . . . 0.0 108.732 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -58.06 -41.16 82.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.286 -0.884 . . . . 0.0 109.175 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -62.91 -39.62 95.09 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.331 -0.856 . . . . 0.0 109.365 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -58.22 -39.62 79.52 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.153 -0.967 . . . . 0.0 108.576 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -61.69 -31.11 71.23 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -83.98 -14.17 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.412 -0.805 . . . . 0.0 109.322 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.41 14.99 59.29 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.512 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 3.3 mm? -95.68 54.25 1.52 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.288 -1.124 . . . . 0.0 108.89 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.01 -27.82 62.83 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.349 -1.1 . . . . 0.0 110.349 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.3 mm -58.07 -49.19 82.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.012 -1.287 . . . . 0.0 109.364 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 mm -63.53 -41.77 93.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.79 -40.87 97.24 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.419 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 62.8 t80 -60.62 -48.39 82.0 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.055 -1.262 . . . . 0.0 110.544 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.655 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 48.1 t80 -66.87 -46.92 73.48 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.947 -1.096 . . . . 0.0 110.873 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.48 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -68.41 -36.44 79.11 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.061 -1.024 . . . . 0.0 110.319 -178.733 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.408 HE22 HG22 ' A' ' 55' ' ' THR . 82.5 mt-30 -60.94 -40.4 93.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.65 -1.281 . . . . 0.0 108.802 178.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.419 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 80.2 mt -62.32 -38.75 90.64 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.663 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 72.8 t80 -65.83 -35.99 82.24 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.309 -0.869 . . . . 0.0 109.227 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.54 -45.79 92.69 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.279 -0.888 . . . . 0.0 110.368 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 p -64.7 -41.99 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.838 -1.164 . . . . 0.0 108.936 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.93 -35.33 78.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.99 -1.069 . . . . 0.0 109.003 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.1 tp -63.43 -42.96 98.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.348 -0.845 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.65 -48.16 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.021 -1.05 . . . . 0.0 109.821 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.517 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.0 mp -66.26 -36.48 83.11 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.255 -0.903 . . . . 0.0 109.541 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.7 p -72.81 -20.77 61.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.16 -0.963 . . . . 0.0 108.514 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.579 ' CD ' ' HE ' ' A' ' 41' ' ' ARG . 82.0 tt0 -85.43 151.31 24.09 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -55.76 150.34 12.99 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.279 -0.888 . . . . 0.0 109.44 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.512 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 47.5 p30 -58.09 136.7 57.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.319 -0.863 . . . . 0.0 110.498 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.579 ' HE ' ' CD ' ' A' ' 38' ' ' GLU . 95.8 mtt-85 -122.89 171.14 9.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.724 -0.61 . . . . 0.0 109.58 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.0 p -57.42 169.4 0.64 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.322 -0.861 . . . . 0.0 110.472 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -56.54 -24.47 47.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.773 -0.579 . . . . 0.0 111.248 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -48.5 -44.26 35.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.635 -1.291 . . . . 0.0 109.527 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -34.37 77.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.918 -1.113 . . . . 0.0 108.982 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.5 m -59.3 -41.47 89.07 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.291 -0.88 . . . . 0.0 109.113 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.67 -43.81 88.17 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.188 -0.945 . . . . 0.0 108.806 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.02 -39.32 89.31 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.41 -0.807 . . . . 0.0 109.069 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.18 90.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.367 -0.833 . . . . 0.0 109.15 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.8 m -60.76 -42.31 97.18 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.332 -0.855 . . . . 0.0 109.105 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.7 -39.73 92.51 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.219 -0.926 . . . . 0.0 109.004 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.57 -40.42 91.62 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.305 -0.872 . . . . 0.0 109.082 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.2 tp -60.69 -40.74 93.28 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.284 -0.885 . . . . 0.0 109.069 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -59.65 -40.42 87.62 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.379 -0.826 . . . . 0.0 108.877 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.408 HG22 HE22 ' A' ' 28' ' ' GLN . 41.3 m -60.57 -43.23 97.54 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.635 -0.666 . . . . 0.0 109.692 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.28 -54.86 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.127 -0.983 . . . . 0.0 109.33 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.65 -37.18 83.09 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.5 -33.65 75.53 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.404 -0.81 . . . . 0.0 108.909 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -59.0 -53.98 52.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.177 -0.952 . . . . 0.0 109.309 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -59.66 -39.04 83.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.188 -0.945 . . . . 0.0 108.923 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -82.33 -1.99 51.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.486 -0.759 . . . . 0.0 109.754 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.7 tt0 -49.08 -32.81 10.33 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.924 . . . . 0.0 110.258 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.548 ' CD1' ' SD ' ' A' ' 79' ' ' MET . 80.8 mt -67.42 -41.64 86.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.053 -1.029 . . . . 0.0 109.59 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.92 -4.11 11.05 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.46 -5.68 70.76 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -63.44 -47.05 83.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.076 -1.249 . . . . 0.0 109.183 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.488 ' O ' ' O ' ' A' ' 70' ' ' GLU . 18.6 m -68.91 -29.86 68.22 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -55.79 -28.92 58.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.604 -0.685 . . . . 0.0 109.484 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.28 96.54 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.999 -1.063 . . . . 0.0 109.953 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.5 mt-10 -134.47 146.03 49.38 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.313 -0.867 . . . . 0.0 109.879 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 49.81 40.23 19.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.251 -0.906 . . . . 0.0 109.228 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.6 p -63.21 -37.68 88.19 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.268 -0.895 . . . . 0.0 109.74 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.584 ' O ' ' CD2' ' A' ' 77' ' ' HIS . 89.9 m-20 -62.76 -41.29 99.16 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.183 -0.948 . . . . 0.0 109.598 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -61.74 -45.76 92.53 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.338 -0.851 . . . . 0.0 110.082 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.7 p -64.09 -41.85 97.15 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.144 -0.972 . . . . 0.0 109.785 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.475 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 98.2 mt -68.69 -37.74 79.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.262 -0.899 . . . . 0.0 110.049 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 50.5 m-70 -59.85 -45.67 91.7 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.112 -0.992 . . . . 0.0 110.3 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.15 -50.13 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.991 -1.068 . . . . 0.0 110.029 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.548 ' SD ' ' CD1' ' A' ' 63' ' ' ILE . 89.6 mtp -68.41 -46.29 70.36 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.171 -0.956 . . . . 0.0 110.401 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.593 ' OD1' ' CE1' ' A' ' 84' ' ' HIS . 27.9 t30 -65.62 -44.26 87.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.239 -0.913 . . . . 0.0 111.196 -178.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 74.6 m -70.12 -49.18 53.38 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.08 -1.013 . . . . 0.0 112.094 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.69 -33.75 66.71 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.871 -1.143 . . . . 0.0 111.662 -177.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 79.8 mt -78.8 -42.18 24.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.939 -1.101 . . . . 0.0 111.291 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.593 ' CE1' ' OD1' ' A' ' 80' ' ' ASN . 80.2 m80 -75.3 -48.18 24.39 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.992 -1.067 . . . . 0.0 111.51 -178.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -84.42 111.03 19.09 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.789 -1.194 . . . . 0.0 110.394 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -62.02 -36.58 81.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.474 -0.766 . . . . 0.0 110.274 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.04 -41.08 86.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.192 -0.943 . . . . 0.0 109.667 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -62.47 -32.16 73.01 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.223 -0.923 . . . . 0.0 108.707 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.31 -44.59 64.84 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.365 -0.834 . . . . 0.0 110.053 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.537 ' HZ2' ' CB ' ' A' ' 135' ' ' TRP . 16.7 tttp -63.51 -48.54 77.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.032 -1.042 . . . . 0.0 110.49 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.6 pp -62.64 -41.32 91.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.049 -1.032 . . . . 0.0 108.586 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.426 ' OH ' ' CD1' ' A' ' 20' ' ' LEU . 60.5 t80 -63.01 -46.37 87.96 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.655 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 83.2 mtp -68.74 -40.66 79.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.434 -0.791 . . . . 0.0 109.893 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.26 -40.54 90.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.149 -0.969 . . . . 0.0 108.82 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -62.38 -43.64 98.35 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.367 -0.833 . . . . 0.0 108.965 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -65.94 -48.25 71.97 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.496 -0.753 . . . . 0.0 109.635 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 38.3 p -62.47 -41.53 98.84 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.219 -0.926 . . . . 0.0 109.847 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.2 ttm -60.24 -41.04 92.32 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.275 -0.891 . . . . 0.0 109.038 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -62.4 -42.09 99.16 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.364 -0.835 . . . . 0.0 109.431 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.1 mt -68.25 -37.35 80.68 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.273 -0.892 . . . . 0.0 109.903 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -58.15 -48.27 80.78 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.884 -1.135 . . . . 0.0 109.524 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -67.43 -44.07 79.65 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.137 -0.977 . . . . 0.0 110.098 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.13 -43.93 90.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.353 -0.842 . . . . 0.0 110.905 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -62.37 -45.85 91.28 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.949 -1.094 . . . . 0.0 110.44 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 93.8 mt -56.53 -52.33 65.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.779 -1.201 . . . . 0.0 109.113 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -62.45 -36.34 82.11 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.126 -0.984 . . . . 0.0 109.177 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.6 ' O ' ' N ' ' A' ' 111' ' ' GLY . 69.6 tp60 -60.35 -42.34 95.53 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.41 -0.806 . . . . 0.0 109.833 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.457 ' O ' ' CZ2' ' A' ' 113' ' ' TRP . 89.2 mt -64.97 -37.79 88.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.0 -1.063 . . . . 0.0 109.352 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -76.68 -52.85 8.86 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 110.411 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -87.06 -22.7 25.28 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.352 -0.843 . . . . 0.0 110.723 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -98.54 155.08 20.14 Favored Glycine 0 N--CA 1.493 2.441 0 C-N-CA 119.574 -1.298 . . . . 0.0 110.366 -179.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.0 154.21 67.01 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.926 2.417 . . . . 0.0 112.017 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.581 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 22.3 m-90 -94.77 116.16 28.4 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.173 -0.954 . . . . 0.0 109.743 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.9 m-20 -134.99 169.19 17.8 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.344 -0.848 . . . . 0.0 109.146 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.6 m -64.08 -32.62 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 O-C-N 121.178 -0.951 . . . . 0.0 109.443 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.401 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.5 mtm -60.12 -40.5 89.93 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.28 -0.888 . . . . 0.0 109.637 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.4 mm? -67.11 -38.19 85.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.263 -0.898 . . . . 0.0 109.487 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -58.43 -46.02 87.33 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.289 -0.882 . . . . 0.0 109.443 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -62.93 -38.94 93.02 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.297 -0.877 . . . . 0.0 109.67 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.9 m -62.02 -40.16 94.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.298 -0.876 . . . . 0.0 109.884 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.79 -43.92 91.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.17 -0.956 . . . . 0.0 109.961 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.426 ' O ' ' CG ' ' A' ' 126' ' ' ASP . 77.2 m95 -61.11 -37.65 83.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.963 -1.086 . . . . 0.0 109.614 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.618 ' SG ' ' N ' ' A' ' 124' ' ' CYS . 0.1 OUTLIER -69.0 -45.84 69.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.184 -0.948 . . . . 0.0 109.455 179.492 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.618 ' N ' ' SG ' ' A' ' 123' ' ' CYS . 89.6 m -65.42 -48.46 72.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.284 -0.885 . . . . 0.0 109.809 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.55 -42.38 91.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 O-C-N 121.125 -0.985 . . . . 0.0 109.421 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 122' ' ' TRP . 90.9 m-20 -59.93 -38.76 83.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.257 -0.902 . . . . 0.0 109.135 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 42.7 tp -61.44 -42.09 98.21 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.356 -0.84 . . . . 0.0 109.436 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -64.94 -42.95 94.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.303 -0.873 . . . . 0.0 109.244 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.5 m -62.91 -37.82 88.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.415 -0.803 . . . . 0.0 109.936 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.663 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 74.4 m -62.46 -49.41 75.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.245 -0.909 . . . . 0.0 109.57 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.97 -46.55 96.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 121.185 -0.947 . . . . 0.0 109.272 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 136' ' ' LYS . 39.9 tp -63.39 -39.06 93.47 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.55 -0.719 . . . . 0.0 109.924 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -57.77 -49.45 76.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.151 -0.968 . . . . 0.0 110.098 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.4 tp -67.46 -43.02 82.08 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.052 -1.03 . . . . 0.0 109.8 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.537 ' CB ' ' HZ2' ' A' ' 90' ' ' LYS . 92.9 m95 -87.29 1.7 52.44 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.285 -0.884 . . . . 0.0 110.657 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -53.08 -37.39 61.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.998 -1.063 . . . . 0.0 109.482 -179.8 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -62.87 -25.5 68.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.301 -0.875 . . . . 0.0 109.628 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -89.15 -2.93 58.73 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.21 -0.931 . . . . 0.0 110.044 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.4 mm -103.36 143.47 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.215 -0.928 . . . . 0.0 109.162 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 32.0 t -77.83 150.2 34.27 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.289 -0.882 . . . . 0.0 108.783 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.68 -41.25 85.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.121 -0.987 . . . . 0.0 109.893 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.0 m -70.35 -45.85 65.32 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.07 -1.019 . . . . 0.0 109.688 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 86.4 p -64.26 -39.94 94.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.259 -0.9 . . . . 0.0 109.175 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 145' ' ' ASN . 0.5 OUTLIER -70.95 -39.91 72.32 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.086 -1.009 . . . . 0.0 108.634 179.337 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . 0.411 ' N ' HG23 ' A' ' 144' ' ' THR . 9.7 t30 -49.61 -45.63 48.35 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.5 m -63.64 -40.2 96.26 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.409 ' HA ' HH11 ' A' ' 150' ' ' ARG . 35.5 tp -65.68 -38.81 90.32 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.548 -0.72 . . . . 0.0 109.558 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -58.82 -38.32 78.36 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -62.03 -41.75 98.44 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.554 -0.717 . . . . 0.0 109.63 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.409 HH11 ' HA ' ' A' ' 147' ' ' LEU . 80.3 mtt85 -58.37 -42.54 87.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.96 -1.087 . . . . 0.0 108.863 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.457 HG23 HD11 ' A' ' 151' ' ' ILE . 33.9 mm -64.91 -42.72 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -58.06 -38.3 76.05 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -58.51 -43.77 89.24 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 77.3 m -64.9 -50.36 66.85 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.274 -0.891 . . . . 0.0 108.868 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -60.1 -36.35 77.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.291 -0.88 . . . . 0.0 108.832 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 15.8 mt -58.76 -43.04 87.04 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 O-C-N 121.397 -0.814 . . . . 0.0 110.014 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.581 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 69.1 t80 -62.5 -42.51 99.55 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.299 -0.875 . . . . 0.0 108.901 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 72.1 mt -61.74 -40.1 93.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.92 . . . . 0.0 109.37 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.4 m -63.13 -41.46 99.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.222 -0.923 . . . . 0.0 109.882 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 165' ' ' GLU . 40.0 mtpt -61.62 -39.71 92.25 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.104 -0.997 . . . . 0.0 109.323 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 161' ' ' LEU . 8.1 mp -65.15 -36.1 83.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.19 -0.944 . . . . 0.0 109.024 179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.1 -37.09 83.76 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.235 -0.916 . . . . 0.0 108.92 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -85.37 -4.41 59.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.383 -0.823 . . . . 0.0 109.274 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.56 -0.41 67.91 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 160' ' ' LYS . 95.5 mt-10 -94.77 147.1 23.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.193 -1.18 . . . . 0.0 109.786 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.407 ' CG2' ' HH ' ' A' ' 157' ' ' TYR . 37.5 mm . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.473 -0.767 . . . . 0.0 109.517 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.23 -41.36 96.73 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.284 -0.885 . . . . 0.0 109.087 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -62.02 -41.43 98.09 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.299 -0.876 . . . . 0.0 109.328 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 13.9 tp -59.32 -40.74 87.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.325 -0.86 . . . . 0.0 109.226 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.77 94.81 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.166 -0.959 . . . . 0.0 109.372 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -65.06 -35.45 81.18 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.174 -0.954 . . . . 0.0 109.419 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -62.64 -43.38 98.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.229 -0.919 . . . . 0.0 109.342 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 4.1 tp -61.66 -43.74 98.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.307 -0.871 . . . . 0.0 109.21 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -60.89 -36.65 79.78 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.339 -0.851 . . . . 0.0 109.194 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.56 -37.46 86.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.193 -0.942 . . . . 0.0 108.784 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.63 -38.68 85.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.38 -0.825 . . . . 0.0 108.86 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -93.7 -1.21 55.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.311 -0.868 . . . . 0.0 109.409 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 118.054 -1.414 . . . . 0.0 109.574 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.668 ' H3 ' ' ND2' ' A' ' 4' ' ' ASN . 65.0 mtt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.14 -42.26 90.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.224 -0.922 . . . . 0.0 109.162 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -63.51 -37.65 88.12 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.193 -0.942 . . . . 0.0 108.981 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.668 ' ND2' ' H3 ' ' A' ' 1' ' ' MET . 86.5 m-20 -57.09 -39.61 75.36 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.18 93.16 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.18 99.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.361 -0.837 . . . . 0.0 109.196 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -60.44 -38.9 85.6 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.306 -0.871 . . . . 0.0 109.296 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.93 -40.62 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.296 -0.877 . . . . 0.0 109.242 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.61 -38.1 79.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 C-N-CA 119.474 -0.89 . . . . 0.0 109.192 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.68 96.7 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.203 -0.936 . . . . 0.0 108.966 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p -69.01 -35.39 76.6 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.309 -0.869 . . . . 0.0 108.918 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.36 -44.47 88.84 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.293 -0.879 . . . . 0.0 109.16 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -63.77 -42.35 97.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.282 -0.886 . . . . 0.0 109.161 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.59 -40.93 93.56 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.541 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.94 -41.62 98.17 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.339 -0.85 . . . . 0.0 109.374 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -58.68 -38.94 79.29 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.266 -0.896 . . . . 0.0 108.722 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -60.76 -30.56 70.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.475 -0.766 . . . . 0.0 109.253 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -83.44 -14.55 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.35 -0.844 . . . . 0.0 109.771 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.11 25.22 29.58 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.6 mt -95.36 54.7 1.65 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.218 -1.166 . . . . 0.0 109.01 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.0 -30.62 57.6 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 mm -58.61 -54.13 37.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.202 -1.175 . . . . 0.0 109.596 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.1 mm -64.87 -38.0 81.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.75 -45.45 94.82 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.43 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 64.2 t80 -60.73 -48.62 80.99 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.953 -1.322 . . . . 0.0 109.95 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.665 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 74.5 t80 -66.18 -43.56 86.5 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.152 -0.967 . . . . 0.0 110.5 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -69.05 -36.42 77.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.107 -0.996 . . . . 0.0 110.203 -179.017 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -61.73 -40.71 96.06 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.617 -1.302 . . . . 0.0 108.781 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.43 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 88.4 mt -61.52 -39.51 91.27 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.159 -0.963 . . . . 0.0 108.47 178.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.666 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 71.5 t80 -66.56 -36.29 82.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.152 -0.968 . . . . 0.0 109.077 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.94 86.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.271 -0.893 . . . . 0.0 109.955 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.08 -47.26 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.776 -1.202 . . . . 0.0 108.66 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' OE2' ' NH1' ' B' ' 203' ' ' ARG . 97.0 mt-10 -62.19 -33.8 75.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.007 -1.058 . . . . 0.0 108.71 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' A' ' 34' ' ' LEU . 3.2 tm? -60.96 -45.8 93.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.484 -0.76 . . . . 0.0 109.518 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.1 mt -63.67 -46.45 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.143 -0.973 . . . . 0.0 109.806 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.1 mp -63.0 -36.23 82.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.302 -0.874 . . . . 0.0 109.326 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.2 p -72.68 -23.36 60.87 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' OE2' ' CZ ' ' A' ' 41' ' ' ARG . 83.5 tt0 -69.74 150.93 46.4 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.782 -0.574 . . . . 0.0 109.683 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.21 150.93 13.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.0 109.269 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -57.81 130.68 47.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.291 -0.881 . . . . 0.0 110.099 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.485 ' CZ ' ' OE2' ' A' ' 38' ' ' GLU . 10.9 mtt85 -122.09 170.87 9.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.747 -0.596 . . . . 0.0 109.582 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.7 m -57.39 168.07 0.85 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.321 -0.862 . . . . 0.0 110.647 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.605 ' NE2' ' CG2' ' A' ' 46' ' ' THR . 56.2 tp60 -55.56 -25.45 38.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.817 -0.552 . . . . 0.0 110.776 -178.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -50.18 -39.98 45.52 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.866 -1.146 . . . . 0.0 109.298 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -35.11 79.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.046 -1.034 . . . . 0.0 109.02 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.605 ' CG2' ' NE2' ' A' ' 43' ' ' GLN . 41.1 m -59.34 -42.04 90.58 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.314 -0.866 . . . . 0.0 109.255 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.496 ' O ' ' OG1' ' A' ' 50' ' ' THR . . . -64.64 -41.7 95.97 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.21 -0.931 . . . . 0.0 108.755 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.81 -39.03 87.42 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.239 -0.913 . . . . 0.0 108.957 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.41 87.27 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.326 -0.859 . . . . 0.0 109.642 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.496 ' OG1' ' O ' ' A' ' 47' ' ' ALA . 71.3 p -62.97 -43.05 99.84 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.063 -1.023 . . . . 0.0 109.495 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.66 -40.63 92.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.323 -0.861 . . . . 0.0 108.869 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.3 -38.21 90.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.25 -0.906 . . . . 0.0 109.0 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.4 tp -59.33 -41.04 88.17 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.269 -0.894 . . . . 0.0 108.646 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -60.97 -39.64 90.34 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 59' ' ' PHE . 51.8 m -60.32 -39.05 85.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.698 -0.626 . . . . 0.0 109.816 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.7 mm -57.36 -53.05 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.114 -0.991 . . . . 0.0 109.224 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.5 -36.79 84.93 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.83 -32.47 73.04 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 55' ' ' THR . 87.2 t80 -60.01 -54.46 45.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.266 -0.896 . . . . 0.0 109.441 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -62.67 -42.89 99.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.108 -0.995 . . . . 0.0 109.395 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -82.79 -2.56 54.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.355 -0.841 . . . . 0.0 110.084 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.58 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.39 -35.38 18.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.076 -1.015 . . . . 0.0 109.777 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.428 ' C ' ' H ' ' A' ' 65' ' ' GLY . 86.3 mt -68.72 -36.98 76.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.187 -0.946 . . . . 0.0 109.642 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.0 -5.63 12.61 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.164 -1.575 . . . . 0.0 109.164 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 89.93 -7.95 80.74 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -65.7 -46.49 78.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.104 -1.233 . . . . 0.0 109.718 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.5 t -63.61 -35.15 79.58 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.199 -0.938 . . . . 0.0 109.321 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 69' ' ' ALA . 96.8 mt-10 -63.01 -29.23 70.66 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.446 -0.784 . . . . 0.0 109.893 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -40.56 -37.07 0.66 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.196 -0.94 . . . . 0.0 109.782 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -110.41 131.29 55.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.403 -0.81 . . . . 0.0 109.039 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 51.59 48.02 23.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.105 -0.997 . . . . 0.0 109.002 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.9 t -56.32 -38.5 71.39 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.34 -0.85 . . . . 0.0 110.344 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.82 -43.74 94.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.053 -1.029 . . . . 0.0 110.238 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -66.25 -41.08 90.45 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.043 -1.036 . . . . 0.0 110.343 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -62.37 -45.86 91.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.177 -0.952 . . . . 0.0 110.194 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.421 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 85.0 mt -65.53 -39.25 91.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.257 -0.902 . . . . 0.0 109.714 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.479 ' O ' ' OG1' ' A' ' 81' ' ' THR . 64.4 m170 -62.05 -45.59 92.88 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.19 -0.944 . . . . 0.0 109.951 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.42 -50.21 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.148 -0.97 . . . . 0.0 110.144 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 94.5 mmm -68.36 -46.59 69.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.223 -0.923 . . . . 0.0 110.715 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.588 ' OD1' ' CE1' ' A' ' 84' ' ' HIS . 32.1 t30 -68.56 -43.63 76.22 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.014 -1.054 . . . . 0.0 111.426 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 56.3 m -65.62 -48.34 72.56 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.152 -0.967 . . . . 0.0 111.948 -178.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.4 mt -72.36 -34.01 67.67 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.853 -1.154 . . . . 0.0 111.386 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 94.2 mt -78.0 -35.56 20.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.987 -1.07 . . . . 0.0 111.065 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.588 ' CE1' ' OD1' ' A' ' 80' ' ' ASN . 77.7 m80 -89.13 -31.59 17.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.02 -1.05 . . . . 0.0 111.323 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -87.83 105.98 17.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.745 -1.222 . . . . 0.0 109.939 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -62.15 -40.11 94.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.34 -0.85 . . . . 0.0 109.914 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.56 -40.98 98.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.214 -0.929 . . . . 0.0 109.66 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -62.18 -34.34 76.24 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.83 -42.96 66.34 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.323 -0.861 . . . . 0.0 109.592 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -61.37 -48.86 79.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.269 -0.895 . . . . 0.0 109.862 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.6 pp -66.59 -40.36 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.215 -0.928 . . . . 0.0 108.889 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -61.96 -47.27 85.59 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.231 -0.918 . . . . 0.0 108.557 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.665 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 74.4 mtm -63.9 -37.28 86.82 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.324 -0.86 . . . . 0.0 109.34 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.8 mt -61.6 -39.62 91.87 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.016 -1.053 . . . . 0.0 108.825 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.62 -44.02 97.77 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.443 -0.786 . . . . 0.0 109.058 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -67.42 -49.46 63.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.365 -0.835 . . . . 0.0 109.343 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.458 ' HG1' ' N ' ' A' ' 98' ' ' MET . 81.5 p -62.47 -44.31 96.7 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 121.279 -0.888 . . . . 0.0 109.268 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.458 ' N ' ' HG1' ' A' ' 97' ' ' THR . 50.8 ttm -60.64 -47.64 85.32 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.299 -0.875 . . . . 0.0 108.761 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.4 t -65.0 -42.06 94.84 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 104' ' ' LYS . 33.2 tp -64.04 -37.64 88.17 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.486 -0.759 . . . . 0.0 109.337 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -59.37 -48.53 81.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.378 -0.826 . . . . 0.0 109.607 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -65.98 -46.74 76.95 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.091 -1.006 . . . . 0.0 109.009 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.46 -34.84 78.64 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.399 -0.813 . . . . 0.0 109.074 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 100' ' ' LEU . 6.1 ttpm? -59.91 -44.33 94.35 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.326 -0.859 . . . . 0.0 109.304 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.2 -43.4 98.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.185 -0.947 . . . . 0.0 109.281 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -61.23 -40.73 95.11 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.199 -0.938 . . . . 0.0 110.192 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' A' ' 111' ' ' GLY . 27.9 mt-30 -62.05 -40.93 97.43 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.127 -0.983 . . . . 0.0 109.921 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.403 ' O ' ' CZ2' ' A' ' 113' ' ' TRP . 82.0 mt -64.95 -38.98 92.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.01 -1.056 . . . . 0.0 109.467 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -78.6 -53.1 7.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.272 -0.893 . . . . 0.0 110.25 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -83.68 -23.02 31.91 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.49 -0.756 . . . . 0.0 110.72 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -101.78 149.44 18.1 Favored Glycine 0 N--CA 1.492 2.428 0 C-N-CA 119.601 -1.285 . . . . 0.0 110.253 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.01 154.08 52.65 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 122.725 2.283 . . . . 0.0 111.806 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.594 ' CE2' ' OH ' ' A' ' 157' ' ' TYR . 15.1 m-90 -92.3 116.69 29.18 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.073 -1.017 . . . . 0.0 109.635 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 88.0 m-20 -135.02 175.89 9.16 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.284 -0.885 . . . . 0.0 109.062 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -60.52 -36.2 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.166 -0.959 . . . . 0.0 109.316 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.445 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.7 mtm -60.44 -39.83 88.9 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.31 -0.869 . . . . 0.0 109.195 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.4 mm? -65.61 -37.91 87.95 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.308 -0.87 . . . . 0.0 108.958 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -57.87 -42.71 85.11 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.209 -0.932 . . . . 0.0 108.798 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -62.68 -39.47 94.06 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.368 -0.832 . . . . 0.0 109.03 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.9 m -62.67 -39.7 94.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.371 -0.831 . . . . 0.0 109.738 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.94 -42.0 99.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.191 -0.943 . . . . 0.0 109.743 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -63.53 -39.55 94.7 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.184 -0.947 . . . . 0.0 109.577 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.6 m -67.62 -42.77 81.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -0.891 . . . . 0.0 109.969 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 76.0 m -58.93 -47.31 85.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.158 -0.964 . . . . 0.0 109.722 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.93 -39.07 80.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.184 -0.948 . . . . 0.0 109.403 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.564 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 91.0 m-20 -60.21 -41.42 93.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.277 -0.889 . . . . 0.0 109.727 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.62 -42.24 99.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.136 -0.977 . . . . 0.0 109.627 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -72.31 -43.11 64.65 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.244 -0.91 . . . . 0.0 109.516 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.6 p -70.99 -33.13 70.11 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.265 -0.897 . . . . 0.0 110.246 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.666 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 90.2 m -68.14 -50.08 56.89 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.032 -1.043 . . . . 0.0 109.782 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.2 mt -66.37 -44.02 91.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.213 -0.929 . . . . 0.0 109.411 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 136' ' ' LYS . 38.9 tp -63.09 -40.54 97.94 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.485 -0.76 . . . . 0.0 109.95 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -60.84 -49.33 77.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.183 -0.948 . . . . 0.0 110.278 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 39.1 tp -64.3 -44.75 90.65 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.075 -1.015 . . . . 0.0 109.866 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -87.4 3.51 46.79 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.311 -0.868 . . . . 0.0 110.327 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.485 ' CD ' ' HG1' ' A' ' 144' ' ' THR . 5.8 tptm -53.43 -36.01 61.07 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.242 -0.911 . . . . 0.0 109.858 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -62.78 -25.41 68.21 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.122 -0.986 . . . . 0.0 109.371 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -89.92 -2.9 58.27 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.193 -0.942 . . . . 0.0 110.099 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.9 mm -104.4 142.08 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.115 -0.991 . . . . 0.0 109.805 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.1 m -77.56 155.42 31.58 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -55.41 -41.57 72.9 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.07 -1.019 . . . . 0.0 109.716 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 26.6 m -72.14 -43.3 64.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.936 -1.102 . . . . 0.0 109.211 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.7 m -59.14 -39.32 82.02 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.153 -0.967 . . . . 0.0 108.653 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.485 ' HG1' ' CD ' ' A' ' 136' ' ' LYS . 0.4 OUTLIER -63.9 -38.64 91.83 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . 0.409 ' N ' HG22 ' A' ' 144' ' ' THR . 23.2 t-20 -55.36 -45.54 76.51 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.404 -0.81 . . . . 0.0 109.421 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.5 m -61.35 -46.38 90.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.157 -0.964 . . . . 0.0 109.453 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 37.6 mt -65.79 -39.93 91.44 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.276 -0.89 . . . . 0.0 109.014 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.615 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -64.0 -36.21 83.25 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.334 -0.854 . . . . 0.0 109.001 179.481 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -62.19 -38.62 89.81 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.099 -1.0 . . . . 0.0 109.248 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.33 -42.5 98.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.061 -1.024 . . . . 0.0 108.339 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.7 -37.56 80.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -57.9 -41.43 82.6 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -58.82 -43.23 90.56 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 88.1 m -64.81 -50.36 67.03 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.287 -0.883 . . . . 0.0 109.077 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -62.39 -37.17 84.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.293 -0.879 . . . . 0.0 109.347 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 11.0 mt -58.5 -47.8 87.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.153 -0.967 . . . . 0.0 109.827 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.594 ' OH ' ' CE2' ' A' ' 113' ' ' TRP . 74.3 t80 -63.2 -40.42 97.44 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 36.5 tp -59.57 -41.06 89.35 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.2 m -61.84 -37.92 86.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.309 -0.869 . . . . 0.0 109.008 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -61.07 -40.28 93.07 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.269 -0.894 . . . . 0.0 108.9 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.67 -35.43 80.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.296 -0.877 . . . . 0.0 109.207 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.59 -37.18 82.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.411 -0.805 . . . . 0.0 109.145 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -81.73 -11.52 59.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.244 -0.91 . . . . 0.0 109.291 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.37 -2.21 74.04 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -94.89 139.61 31.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -1.145 . . . . 0.0 109.65 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 37.9 mm . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.451 -0.781 . . . . 0.0 109.389 179.673 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -62.39 -39.59 93.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.337 -0.852 . . . . 0.0 108.937 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -60.12 -42.1 94.05 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.381 -0.824 . . . . 0.0 109.278 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.64 -42.33 92.51 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.206 -0.934 . . . . 0.0 109.084 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.99 91.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.2 -0.938 . . . . 0.0 109.043 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -65.27 -34.75 79.08 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.359 -0.838 . . . . 0.0 109.162 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -58.96 -43.89 91.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.264 -0.898 . . . . 0.0 109.101 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.0 -42.66 99.9 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.213 -0.929 . . . . 0.0 108.858 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -58.96 -38.45 79.11 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.361 -0.837 . . . . 0.0 108.82 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.35 79.9 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.321 -0.862 . . . . 0.0 108.705 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 4.2 tp -58.99 -39.72 82.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.0 108.988 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 203' ' ' ARG . . . . . 0.474 ' NH1' ' OE2' ' A' ' 33' ' ' GLU . 33.7 ptt180 -101.51 3.7 40.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.887 . . . . 0.0 109.445 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 117.991 -1.449 . . . . 0.0 109.515 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.523 ' H2 ' HD21 ' A' ' 4' ' ' ASN . 64.7 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.4 ' HB1' HH11 ' A' ' 41' ' ' ARG . . . -58.97 -40.1 83.74 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.136 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -63.38 -38.57 91.65 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.139 -0.976 . . . . 0.0 108.97 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.523 HD21 ' H2 ' ' A' ' 1' ' ' MET . 86.2 m-20 -57.32 -39.63 76.22 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.82 95.29 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.32 95.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.337 -0.852 . . . . 0.0 109.151 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' A' ' 11' ' ' THR . 12.4 tpt85 -60.29 -38.87 84.97 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.255 -0.903 . . . . 0.0 109.021 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.53 -39.47 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.281 -0.887 . . . . 0.0 109.007 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.45 -38.36 79.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.337 -0.852 . . . . 0.0 108.975 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.19 95.09 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.292 -0.963 . . . . 0.0 108.575 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.558 ' CG2' ' NH1' ' A' ' 7' ' ' ARG . 3.8 p -67.93 -35.36 78.29 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.97 -42.42 89.87 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.302 -0.874 . . . . 0.0 108.814 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -62.83 -43.58 98.41 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.255 -0.903 . . . . 0.0 108.933 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -61.34 -42.23 98.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.231 -0.918 . . . . 0.0 109.235 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -62.39 -40.5 96.69 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.337 -0.852 . . . . 0.0 109.206 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.474 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 55.5 t0 -58.75 -38.41 78.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.252 -0.905 . . . . 0.0 108.682 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -60.71 -30.48 69.98 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.5 t -83.76 -10.22 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.432 -0.792 . . . . 0.0 109.477 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.53 16.86 56.27 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.1 mt -95.75 47.57 1.11 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.316 -1.108 . . . . 0.0 109.088 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.21 -32.24 57.01 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.2 mm -58.54 -50.23 79.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 O-C-N 121.172 -1.193 . . . . 0.0 109.603 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.414 HD13 HG22 ' A' ' 23' ' ' ILE . 22.2 mm -63.13 -42.22 95.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.227 -0.921 . . . . 0.0 109.05 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.59 -39.35 94.95 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -62.46 -47.72 82.78 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.149 -1.207 . . . . 0.0 110.408 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.667 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 70.9 t80 -61.11 -45.86 92.96 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.264 -0.897 . . . . 0.0 111.275 -178.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.17 -33.41 75.71 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.579 -1.326 . . . . 0.0 109.918 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -59.87 -40.41 88.53 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.624 -1.297 . . . . 0.0 107.895 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.4 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 86.0 mt -61.77 -38.29 87.49 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.666 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 84.7 t80 -67.32 -36.3 81.18 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.421 -0.799 . . . . 0.0 109.253 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.5 93.08 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.307 -0.871 . . . . 0.0 110.151 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.4 ' CG1' ' O ' ' A' ' 29' ' ' LEU . 2.1 p -65.89 -42.53 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.778 -1.202 . . . . 0.0 108.775 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.6 -34.75 76.18 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.948 -1.095 . . . . 0.0 108.793 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.3 tp -64.25 -45.19 89.24 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.323 -0.861 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.1 mt -60.27 -46.63 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.08 -1.012 . . . . 0.0 110.111 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -64.44 -33.4 75.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.353 -0.842 . . . . 0.0 109.857 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.2 p -71.75 -25.66 62.13 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.077 -1.014 . . . . 0.0 109.73 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -76.22 150.46 37.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.358 -0.839 . . . . 0.0 109.931 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.94 151.05 15.46 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.432 -0.792 . . . . 0.0 109.136 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -57.35 140.17 50.93 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.234 -0.916 . . . . 0.0 109.825 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.4 HH11 ' HB1' ' A' ' 2' ' ' ALA . 76.4 mtp180 -122.15 170.57 9.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.718 -0.614 . . . . 0.0 109.475 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p -57.81 171.42 0.49 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.91 . . . . 0.0 109.769 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -55.58 -28.64 56.22 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.466 -0.772 . . . . 0.0 110.722 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.27 -41.68 50.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.799 -1.188 . . . . 0.0 109.412 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 56.3 ttp -64.3 -36.25 83.5 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.03 -1.044 . . . . 0.0 109.017 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.7 m -59.59 -40.91 89.03 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.415 -0.803 . . . . 0.0 109.25 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.27 97.91 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.268 -0.895 . . . . 0.0 108.794 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.5 tp -61.23 -39.28 89.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.375 -0.828 . . . . 0.0 109.006 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.49 91.21 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.299 -0.876 . . . . 0.0 109.366 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.1 m -60.7 -42.58 97.45 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.193 -0.942 . . . . 0.0 109.158 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.86 -39.36 91.6 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.261 -0.9 . . . . 0.0 108.964 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.55 -40.71 92.6 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.374 -0.829 . . . . 0.0 109.213 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.08 -39.9 91.68 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.294 -0.879 . . . . 0.0 108.935 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -59.94 -41.28 91.51 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.459 -0.775 . . . . 0.0 108.938 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.9 m -60.72 -41.8 95.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.512 -0.743 . . . . 0.0 109.672 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.29 -51.54 71.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.209 -0.932 . . . . 0.0 109.182 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.534 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.9 mt-10 -62.54 -36.71 83.47 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -65.24 -34.52 78.55 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -59.38 -54.26 48.7 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.285 -0.884 . . . . 0.0 109.176 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.22 -40.82 97.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.098 -1.001 . . . . 0.0 109.009 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -82.53 -2.42 53.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.503 -0.748 . . . . 0.0 109.831 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.0 tt0 -49.11 -34.94 15.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.175 -0.953 . . . . 0.0 109.846 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.45 ' C ' ' H ' ' A' ' 65' ' ' GLY . 81.9 mt -68.44 -41.2 83.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 121.172 -0.955 . . . . 0.0 109.676 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.25 -5.47 9.23 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 90.77 -8.48 79.74 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -69.74 -47.07 64.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.236 -1.155 . . . . 0.0 109.648 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.3 m -69.22 -32.45 71.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.243 -0.911 . . . . 0.0 108.988 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 72' ' ' SER . 84.3 tt0 -57.23 -32.95 67.05 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.553 -0.717 . . . . 0.0 109.92 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.94 -37.91 83.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.133 -0.979 . . . . 0.0 109.961 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' ASP . 95.6 mt-10 -97.7 135.34 39.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.153 -0.967 . . . . 0.0 108.786 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' GLU . 85.9 m-20 48.88 44.1 21.93 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -58.28 -43.3 87.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.636 -0.665 . . . . 0.0 110.564 -178.602 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.585 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 90.6 m-20 -62.87 -48.09 80.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.985 -1.072 . . . . 0.0 110.116 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -72.6 -42.85 64.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.348 -0.845 . . . . 0.0 110.641 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.2 m -59.5 -46.22 89.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.107 -0.995 . . . . 0.0 110.174 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.406 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 99.1 mt -68.21 -37.95 81.42 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.207 -0.933 . . . . 0.0 109.807 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.585 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 64.8 m170 -61.11 -45.59 94.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.285 -0.884 . . . . 0.0 110.233 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.11 -49.94 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.103 -0.998 . . . . 0.0 110.251 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 97.2 mmm -67.92 -46.34 71.79 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.072 -1.017 . . . . 0.0 110.233 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.591 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 57.8 t-20 -68.4 -44.52 74.9 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.179 -0.951 . . . . 0.0 111.293 -178.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 39.7 m -67.28 -48.12 68.61 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.049 -1.032 . . . . 0.0 112.0 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.9 mt -70.82 -33.88 71.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.926 -1.109 . . . . 0.0 111.32 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.9 mt -79.03 -42.21 23.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 120.885 -1.135 . . . . 0.0 111.072 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.591 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 67.4 m80 -75.52 -48.0 24.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.133 -0.979 . . . . 0.0 111.312 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -83.1 108.36 16.32 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.834 -1.166 . . . . 0.0 110.114 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -61.97 -34.84 76.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.454 -0.779 . . . . 0.0 110.001 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.61 -42.13 87.45 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.092 -1.005 . . . . 0.0 109.675 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -63.29 -34.98 78.87 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.82 -42.66 66.75 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.25 -0.906 . . . . 0.0 109.485 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -60.27 -48.44 81.73 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.081 -1.012 . . . . 0.0 109.75 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.41 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -69.9 -41.14 79.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.298 -0.876 . . . . 0.0 108.932 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 63.7 t80 -62.85 -48.67 78.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.25 -0.906 . . . . 0.0 108.656 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.667 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 72.1 mtm -65.77 -37.62 86.84 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.297 -0.877 . . . . 0.0 109.313 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.9 tp -61.4 -40.9 96.05 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.215 -0.928 . . . . 0.0 108.961 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -62.48 -42.27 99.37 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.442 -0.786 . . . . 0.0 109.299 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -63.38 -47.13 83.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.437 -0.789 . . . . 0.0 109.626 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 41.9 p -62.68 -43.28 99.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.248 -0.907 . . . . 0.0 109.6 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 59.8 ttp -63.92 -46.84 82.98 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.379 -0.826 . . . . 0.0 109.205 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 m -69.24 -42.03 76.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.843 . . . . 0.0 109.502 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.0 tp -67.43 -39.96 85.45 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.338 -0.851 . . . . 0.0 110.068 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.414 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 76.6 t80 -62.94 -48.39 79.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.27 -0.894 . . . . 0.0 110.642 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -63.79 -47.19 81.9 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.959 -1.088 . . . . 0.0 109.973 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.25 -37.68 88.19 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.258 -0.901 . . . . 0.0 109.37 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.584 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 38.8 tttp -61.74 -42.04 98.44 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.364 -0.835 . . . . 0.0 109.648 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.98 -43.3 95.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.102 -0.999 . . . . 0.0 109.101 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -60.11 -37.67 80.71 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.174 -0.954 . . . . 0.0 109.074 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.592 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.3 mt-30 -62.87 -38.33 90.42 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.366 -0.834 . . . . 0.0 109.451 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 63.3 mt -63.71 -39.14 93.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.167 -0.958 . . . . 0.0 109.283 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -78.2 -53.12 7.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 110.39 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -82.13 -23.03 35.86 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.4 -0.812 . . . . 0.0 110.518 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.61 155.16 17.89 Favored Glycine 0 N--CA 1.493 2.476 0 C-N-CA 119.713 -1.232 . . . . 0.0 110.312 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -68.82 154.3 71.35 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.941 2.428 . . . . 0.0 111.869 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.588 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 13.0 m-90 -92.23 124.62 36.44 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.149 -0.97 . . . . 0.0 109.656 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.2 m-20 -134.5 166.64 22.42 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.422 -0.799 . . . . 0.0 109.485 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.9 m -64.17 -31.87 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.244 -0.91 . . . . 0.0 109.393 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.8 mtm -59.34 -39.08 82.04 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.327 -0.858 . . . . 0.0 109.31 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.98 -37.72 88.45 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.227 -0.92 . . . . 0.0 109.12 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -59.67 -42.14 92.24 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.197 -0.939 . . . . 0.0 109.033 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -62.47 -40.61 97.21 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.335 -0.853 . . . . 0.0 109.235 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.584 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 96.8 p -65.63 -34.19 77.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.463 -0.773 . . . . 0.0 109.421 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 34.1 mt -64.78 -42.01 95.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.29 -0.881 . . . . 0.0 109.434 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -63.13 -41.41 99.32 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.072 -1.017 . . . . 0.0 109.269 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.8 m -68.71 -41.14 79.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.294 -0.879 . . . . 0.0 109.643 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 91.6 m -62.32 -49.42 75.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.19 -0.944 . . . . 0.0 109.732 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.75 -41.91 90.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 121.216 -0.928 . . . . 0.0 109.355 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.497 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.3 m-20 -61.18 -39.16 89.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.363 -0.836 . . . . 0.0 109.649 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 44.4 tp -61.23 -44.95 96.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 109.452 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -69.12 -43.11 75.08 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.295 -0.878 . . . . 0.0 109.295 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.6 m -62.02 -38.45 88.71 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.366 -0.834 . . . . 0.0 109.822 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.666 ' SG ' ' CD1' ' A' ' 30' ' ' TYR . 72.6 m -63.41 -49.3 74.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.21 -0.931 . . . . 0.0 109.364 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.63 -43.77 98.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 O-C-N 121.188 -0.945 . . . . 0.0 109.289 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.56 -40.23 96.17 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.544 -0.723 . . . . 0.0 110.329 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -62.14 -49.33 76.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.13 -0.981 . . . . 0.0 110.458 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 35.1 tp -65.52 -43.9 88.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.036 -1.04 . . . . 0.0 110.374 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -86.93 2.39 49.46 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.248 -0.907 . . . . 0.0 110.556 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -37.52 63.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.111 -0.993 . . . . 0.0 109.519 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.01 -25.34 65.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.908 . . . . 0.0 110.024 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -89.07 -5.96 57.47 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.09 -1.006 . . . . 0.0 110.67 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.1 147.19 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.227 -0.92 . . . . 0.0 109.902 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 55.4 p -77.13 155.56 32.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.421 -0.799 . . . . 0.0 109.538 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.07 -40.36 89.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.823 . . . . 0.0 110.158 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 27.7 m -67.13 -45.2 77.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.729 -1.232 . . . . 0.0 109.076 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.9 m -59.83 -39.63 85.74 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.91 -38.85 87.19 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -56.04 -44.57 78.94 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.494 -0.754 . . . . 0.0 109.356 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.9 m -61.16 -50.51 72.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.203 -0.936 . . . . 0.0 109.981 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.26 -38.72 88.5 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.128 -0.983 . . . . 0.0 109.215 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.622 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -63.06 -38.83 92.73 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.235 -0.916 . . . . 0.0 109.434 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -62.49 -39.2 92.71 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.948 -1.095 . . . . 0.0 108.905 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.15 -40.32 85.17 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.168 -0.957 . . . . 0.0 108.61 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.8 mm -60.96 -40.59 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.361 -0.837 . . . . 0.0 108.854 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -57.49 -41.69 81.21 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -57.97 -42.62 85.43 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . 0.414 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 5.1 m -62.77 -49.96 72.92 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -62.42 -33.83 75.57 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.505 -0.747 . . . . 0.0 109.41 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 19.7 mt -57.89 -48.08 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 O-C-N 121.196 -0.94 . . . . 0.0 109.861 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.588 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 54.2 t80 -63.13 -41.0 99.22 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 48.2 tp -59.91 -40.11 87.72 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.754 -0.591 . . . . 0.0 109.46 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.8 m -61.87 -42.03 98.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 0.0 109.757 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -61.5 -40.56 95.02 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.112 -0.993 . . . . 0.0 109.228 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.52 -35.16 79.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.265 -0.897 . . . . 0.0 109.087 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.83 81.56 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.286 -0.884 . . . . 0.0 109.073 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -81.66 -12.02 58.85 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.342 -0.849 . . . . 0.0 109.264 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.11 -3.91 73.73 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -95.09 144.05 26.05 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.225 -1.162 . . . . 0.0 109.705 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 39.4 mm . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.491 -0.755 . . . . 0.0 109.425 179.541 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -61.03 -40.66 94.43 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.283 -0.885 . . . . 0.0 109.036 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -61.41 -42.18 98.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.323 -0.861 . . . . 0.0 109.358 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 36.1 tp -59.68 -40.04 86.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.235 -0.916 . . . . 0.0 109.268 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.08 97.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.334 -0.854 . . . . 0.0 109.389 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -65.17 -35.67 81.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.239 -0.913 . . . . 0.0 109.244 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . 0.534 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 79.3 ttt180 -60.82 -42.98 98.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.276 -0.89 . . . . 0.0 109.158 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.42 -43.19 99.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.205 -0.934 . . . . 0.0 109.144 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -59.18 -36.78 75.94 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.349 -0.845 . . . . 0.0 108.921 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.7 -36.51 83.84 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.311 -0.868 . . . . 0.0 108.683 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.98 -39.02 84.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.404 -0.81 . . . . 0.0 108.879 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -87.4 -10.5 51.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.347 -0.846 . . . . 0.0 109.251 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 CA-C-O 117.995 -1.447 . . . . 0.0 109.545 179.847 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.68 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 87.8 mtp . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.386 0.612 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.39 -37.74 73.17 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.101 -0.999 . . . . 0.0 108.896 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.9 p -64.25 -37.5 87.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.272 -0.892 . . . . 0.0 109.178 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.68 ' ND2' ' N ' ' A' ' 1' ' ' MET . 93.3 m-20 -58.58 -41.69 86.31 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.21 -40.15 96.65 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.56 96.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.507 -0.745 . . . . 0.0 109.361 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.432 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.1 -41.71 93.13 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.172 -0.955 . . . . 0.0 108.727 179.758 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.05 -37.04 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.431 -0.793 . . . . 0.0 109.013 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.4 t -60.39 -37.96 76.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.63 98.88 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.6 p -68.61 -35.48 77.38 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.643 ' CB ' HE21 ' A' ' 28' ' ' GLN . . . -57.15 -45.45 83.59 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -62.59 -39.28 93.22 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -59.5 -41.5 90.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.339 -0.851 . . . . 0.0 109.562 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -62.96 -40.52 97.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.175 -0.953 . . . . 0.0 109.535 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.486 ' OD1' ' OE2' ' A' ' 62' ' ' GLU . 61.0 t0 -58.57 -39.92 81.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.173 -0.954 . . . . 0.0 108.853 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -62.14 -31.26 71.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.361 -0.837 . . . . 0.0 109.269 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.1 t -84.01 -14.22 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.297 -0.877 . . . . 0.0 109.643 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.64 12.38 62.68 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp -95.72 54.62 1.56 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.298 -1.119 . . . . 0.0 109.042 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.08 -29.14 55.29 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.423 HG21 HD12 ' A' ' 22' ' ' ILE . 21.2 mm -58.32 -50.1 79.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.147 -1.207 . . . . 0.0 109.545 -179.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.426 HG23 HD11 ' A' ' 23' ' ' ILE . 28.1 mm -62.8 -44.94 99.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.212 -0.93 . . . . 0.0 108.814 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.62 -38.11 93.25 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.416 -1.473 . . . . 0.0 109.416 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.44 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 72.9 t80 -60.74 -47.95 84.01 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.096 -1.238 . . . . 0.0 110.622 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' SD ' ' A' ' 93' ' ' MET . 77.0 t80 -64.31 -47.18 80.42 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.041 -1.037 . . . . 0.0 111.497 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -70.65 -34.13 71.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.668 -1.27 . . . . 0.0 110.363 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.643 HE21 ' CB ' ' A' ' 12' ' ' ALA . 85.8 mm-40 -60.31 -41.14 92.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.578 -1.326 . . . . 0.0 108.55 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.44 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 74.5 mt -62.26 -40.54 96.55 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.661 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 74.6 t80 -66.43 -35.99 81.68 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.33 -0.857 . . . . 0.0 109.267 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.78 90.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.319 -0.863 . . . . 0.0 110.105 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.8 p -67.27 -43.81 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.91 -1.119 . . . . 0.0 108.996 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -60.76 -34.4 74.39 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.017 -1.052 . . . . 0.0 108.559 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.2 tp -63.05 -47.53 82.58 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.417 -0.802 . . . . 0.0 109.901 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.7 mt -59.32 -44.96 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.183 -0.948 . . . . 0.0 110.424 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.441 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.0 mp -62.56 -34.43 76.93 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.305 -0.872 . . . . 0.0 110.022 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.4 p -71.98 -25.88 62.03 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.981 -1.074 . . . . 0.0 109.718 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.59 ' OE1' ' NH1' ' A' ' 41' ' ' ARG . 98.8 mt-10 -68.08 150.17 48.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.324 -0.86 . . . . 0.0 110.248 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -57.18 151.13 16.13 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.443 -0.786 . . . . 0.0 109.124 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -57.54 136.39 56.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.291 -0.88 . . . . 0.0 110.113 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.59 ' NH1' ' OE1' ' A' ' 38' ' ' GLU . 78.8 mtt85 -122.38 171.45 9.06 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.1 m -56.7 167.42 0.75 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.224 -0.922 . . . . 0.0 109.96 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -55.6 -33.35 63.88 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.486 -0.759 . . . . 0.0 111.017 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.51 -43.13 55.67 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.811 -1.181 . . . . 0.0 109.202 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.6 tpt -65.26 -38.87 91.63 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.199 -0.938 . . . . 0.0 108.693 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.1 m -59.93 -39.94 87.22 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.482 -0.761 . . . . 0.0 109.269 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.7 98.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.338 -0.851 . . . . 0.0 108.749 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.2 tp -61.36 -39.9 92.31 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.326 -0.859 . . . . 0.0 108.999 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.31 90.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.284 -0.885 . . . . 0.0 109.324 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.7 m -60.74 -41.29 95.09 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.224 -0.922 . . . . 0.0 109.183 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.2 -39.22 94.01 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.272 -0.893 . . . . 0.0 109.415 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.6 tp -59.99 -44.61 94.39 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.297 -0.877 . . . . 0.0 109.576 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.3 tp -61.65 -37.91 85.75 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.165 -0.959 . . . . 0.0 108.603 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -59.48 -38.55 81.14 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.282 -1.006 . . . . 0.0 108.282 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' PHE . 44.7 m -60.13 -42.32 94.54 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 82.1 mt -57.52 -52.87 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.205 -0.935 . . . . 0.0 108.687 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -61.05 -36.8 80.54 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.9 -32.53 73.85 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' THR . 76.9 t80 -58.63 -51.09 71.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.395 -0.816 . . . . 0.0 108.88 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -61.04 -38.72 87.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.179 -0.951 . . . . 0.0 108.829 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -81.74 -1.44 47.11 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.5 -0.75 . . . . 0.0 109.496 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.486 ' OE2' ' OD1' ' A' ' 16' ' ' ASP . 87.7 tt0 -48.54 -33.24 9.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.406 -0.809 . . . . 0.0 110.236 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.488 ' CD1' ' SD ' ' A' ' 79' ' ' MET . 76.6 mt -67.52 -40.92 85.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 120.985 -1.072 . . . . 0.0 109.721 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.61 -0.33 35.51 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.17 -2.9 69.12 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.34 -46.73 82.2 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.163 -1.198 . . . . 0.0 109.781 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 70' ' ' GLU . 14.8 m -65.65 -33.05 74.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.164 -0.96 . . . . 0.0 108.848 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.95 -28.24 68.83 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.604 -0.685 . . . . 0.0 109.615 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.24 95.84 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.926 -1.109 . . . . 0.0 110.066 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.4 mt-10 -134.87 145.28 48.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.308 -0.87 . . . . 0.0 110.005 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 48.76 42.33 19.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.224 -0.923 . . . . 0.0 109.233 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.7 p -64.04 -37.51 87.71 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.386 -0.821 . . . . 0.0 110.278 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.41 -43.39 98.94 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.964 -1.085 . . . . 0.0 109.755 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -68.73 -47.57 65.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.274 -0.891 . . . . 0.0 110.588 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.4 m -62.97 -44.69 95.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.093 -1.005 . . . . 0.0 110.054 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.3 -39.83 81.93 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.315 -0.865 . . . . 0.0 110.278 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.406 ' O ' ' OG1' ' A' ' 81' ' ' THR . 76.8 t60 -61.3 -45.28 95.11 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.222 -0.924 . . . . 0.0 110.442 -178.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 72.0 t -67.35 -49.41 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.056 -1.028 . . . . 0.0 110.193 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.488 ' SD ' ' CD1' ' A' ' 63' ' ' ILE . 89.1 mtp -67.71 -46.49 72.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.088 -1.007 . . . . 0.0 110.636 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.516 ' O ' ' CG ' ' A' ' 84' ' ' HIS . 79.8 m-20 -66.54 -40.93 89.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.127 -0.983 . . . . 0.0 110.771 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 87.5 m -70.42 -49.16 51.68 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.179 -0.951 . . . . 0.0 111.45 -178.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.3 mt -71.74 -34.33 69.42 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.923 -1.111 . . . . 0.0 111.114 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.9 mt -79.25 -41.81 23.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 120.944 -1.097 . . . . 0.0 110.859 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 6.9 m-70 -67.6 -48.28 67.28 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.026 -1.046 . . . . 0.0 111.006 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -88.02 113.5 23.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.064 -1.022 . . . . 0.0 110.249 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -61.64 -37.1 82.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.36 -0.838 . . . . 0.0 110.031 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.38 -41.84 94.62 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.072 -1.017 . . . . 0.0 109.636 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -62.2 -33.04 73.8 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.162 -0.961 . . . . 0.0 108.673 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.6 -42.46 74.39 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.33 -0.856 . . . . 0.0 109.7 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 94' ' ' LEU . 35.8 tttt -66.18 -48.13 71.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.922 . . . . 0.0 110.632 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.476 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -63.89 -45.21 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.809 -1.182 . . . . 0.0 108.853 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.476 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 67.0 t80 -64.69 -45.14 87.91 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.528 ' SD ' ' CD2' ' A' ' 26' ' ' TYR . 27.5 ttp -68.23 -42.32 79.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.577 -0.702 . . . . 0.0 109.914 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 90' ' ' LYS . 30.5 tp -61.6 -40.67 95.63 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.142 -0.974 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -60.69 -48.33 82.27 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.198 -0.939 . . . . 0.0 109.506 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -70.88 -45.45 64.34 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.411 -0.806 . . . . 0.0 109.329 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' A' ' 93' ' ' MET . 18.2 m -57.46 -43.51 84.07 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.439 -0.788 . . . . 0.0 109.788 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 91.4 mmm -66.98 -43.25 83.51 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.069 -1.019 . . . . 0.0 109.491 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.7 p -67.79 -36.4 80.38 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.273 -0.892 . . . . 0.0 109.083 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 31.5 tp -63.63 -42.02 98.2 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.427 -0.796 . . . . 0.0 109.227 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -60.88 -43.59 98.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.483 -0.76 . . . . 0.0 109.575 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -58.71 -41.08 85.48 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.281 -0.887 . . . . 0.0 109.578 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.67 -39.23 93.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.401 -0.812 . . . . 0.0 109.715 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -61.15 -41.41 96.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.103 -0.998 . . . . 0.0 109.397 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.24 -45.05 94.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.212 -0.93 . . . . 0.0 109.402 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -60.85 -39.29 88.57 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.15 -0.969 . . . . 0.0 109.717 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.579 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -61.76 -39.37 91.4 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.215 -0.928 . . . . 0.0 109.986 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.7 -44.28 94.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.008 -1.057 . . . . 0.0 109.553 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -79.02 -52.73 7.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.261 -0.899 . . . . 0.0 110.142 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -77.73 -23.33 49.4 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.371 -0.831 . . . . 0.0 110.337 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -112.56 155.46 16.24 Favored Glycine 0 N--CA 1.495 2.581 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -68.11 154.15 73.16 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.876 2.384 . . . . 0.0 111.844 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.581 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 30.1 m-90 -87.1 120.86 28.82 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.075 -1.016 . . . . 0.0 109.784 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.4 m-20 -134.61 166.76 22.17 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.343 -0.848 . . . . 0.0 109.28 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.5 m -64.04 -32.28 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.243 -0.911 . . . . 0.0 109.372 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.4 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.8 mtm -59.79 -41.5 91.29 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.303 -0.873 . . . . 0.0 109.454 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 67.2 mt -66.06 -37.02 84.77 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.246 -0.909 . . . . 0.0 109.178 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -57.79 -44.32 86.2 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.16 -0.963 . . . . 0.0 109.056 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -64.17 -40.05 95.29 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.416 -0.803 . . . . 0.0 109.482 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.5 m -61.79 -39.43 91.68 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.311 -0.868 . . . . 0.0 109.408 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 23.9 tp -63.63 -41.77 98.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.404 -0.81 . . . . 0.0 109.419 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -59.83 -39.71 86.01 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.131 -0.981 . . . . 0.0 109.493 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.7 m -63.35 -44.05 95.94 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.241 -0.912 . . . . 0.0 109.585 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 78.3 m -61.31 -46.97 88.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.175 -0.953 . . . . 0.0 109.454 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.19 -37.84 74.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.179 -0.951 . . . . 0.0 108.926 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -58.59 -39.9 81.7 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.271 -0.893 . . . . 0.0 108.955 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.53 -42.42 99.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.308 -0.87 . . . . 0.0 109.351 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -67.29 -42.72 83.3 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.146 -0.971 . . . . 0.0 109.827 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 133' ' ' HIS . 22.9 t -63.67 -43.44 96.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.228 -0.92 . . . . 0.0 110.059 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.661 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 60.2 m -68.31 -49.54 59.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.028 -1.045 . . . . 0.0 110.234 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 93.7 mt -65.97 -50.34 70.46 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.204 -0.935 . . . . 0.0 110.403 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 136' ' ' LYS . 41.0 tp -65.51 -42.04 92.49 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.35 -0.844 . . . . 0.0 110.419 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . 0.436 ' CB ' ' O ' ' A' ' 129' ' ' SER . 22.7 t-80 -61.07 -49.58 76.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.089 -1.007 . . . . 0.0 110.477 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 34.8 tp -64.99 -43.54 92.24 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.05 -1.031 . . . . 0.0 109.728 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -87.21 0.92 54.6 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.4 -0.812 . . . . 0.0 110.354 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -52.26 -38.46 58.27 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.129 -0.982 . . . . 0.0 109.998 -179.416 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.84 -25.12 68.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.152 -0.967 . . . . 0.0 109.48 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -89.57 -4.53 57.82 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.231 -0.918 . . . . 0.0 110.21 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.2 mm -104.57 145.99 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.15 -0.969 . . . . 0.0 109.206 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.72 ' HG ' ' H ' ' A' ' 143' ' ' SER . 55.7 p -77.4 155.54 31.77 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.233 -0.917 . . . . 0.0 109.139 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.51 -37.97 73.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.231 -0.918 . . . . 0.0 109.717 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.0 m -74.0 -45.25 51.09 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.89 -1.131 . . . . 0.0 109.502 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.72 ' H ' ' HG ' ' A' ' 140' ' ' SER . 40.3 m -63.81 -45.51 89.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.892 . . . . 0.0 109.646 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.584 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.7 OUTLIER -62.04 -39.16 91.38 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.128 -0.982 . . . . 0.0 108.477 179.387 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . 0.426 ' N ' ' CG2' ' A' ' 144' ' ' THR . 0.3 OUTLIER -56.48 -42.37 78.14 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.348 -0.845 . . . . 0.0 109.063 179.677 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.1 m -61.53 -44.79 96.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.3 -0.875 . . . . 0.0 109.675 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.37 -38.95 91.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.141 -0.975 . . . . 0.0 108.695 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.611 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -62.2 -36.82 83.09 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.342 -0.849 . . . . 0.0 109.058 179.3 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -62.27 -42.03 98.99 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.281 -0.887 . . . . 0.0 109.713 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -62.71 -42.45 99.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.088 -1.007 . . . . 0.0 108.976 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.552 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 89.1 mt -65.23 -40.67 89.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -58.55 -39.94 81.65 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -58.12 -42.73 86.38 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . 0.681 ' SG ' ' N ' ' A' ' 155' ' ' LYS . 1.6 p -64.68 -48.76 73.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.256 -0.903 . . . . 0.0 108.724 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . 0.681 ' N ' ' SG ' ' A' ' 154' ' ' CYS . 74.9 mttt -61.75 -35.07 77.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.235 -0.916 . . . . 0.0 109.043 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 21.3 mt -58.33 -48.52 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 O-C-N 121.288 -0.882 . . . . 0.0 109.731 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.581 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 58.8 t80 -63.66 -40.91 98.02 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 30.6 tp -60.24 -40.43 90.24 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.64 -0.663 . . . . 0.0 109.22 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.3 t -60.46 -39.58 88.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.21 -0.931 . . . . 0.0 108.677 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -61.51 -37.37 83.45 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.88 -38.16 87.28 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.53 86.91 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.425 -0.797 . . . . 0.0 109.111 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -81.77 -12.09 58.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.303 -0.873 . . . . 0.0 109.37 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.61 3.61 77.44 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -94.73 145.71 24.68 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.212 -1.169 . . . . 0.0 109.69 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 41.6 mm . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.481 -0.762 . . . . 0.0 109.456 179.672 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -61.75 -40.6 95.69 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.23 -0.919 . . . . 0.0 109.073 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -61.3 -42.14 98.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.333 -0.854 . . . . 0.0 109.381 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.22 -43.24 92.33 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.261 -0.899 . . . . 0.0 109.153 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.27 95.47 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.389 -0.82 . . . . 0.0 109.028 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.12 -35.29 80.65 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.348 -0.845 . . . . 0.0 109.091 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -60.07 -44.15 94.96 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 109.093 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 8.1 tp -63.27 -43.01 99.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.194 -0.942 . . . . 0.0 109.21 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -59.02 -36.77 75.54 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.324 -0.86 . . . . 0.0 109.356 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.64 89.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.148 -0.97 . . . . 0.0 108.608 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.48 -38.49 87.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.526 -0.733 . . . . 0.0 109.197 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -87.7 -7.27 57.6 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.41 -0.806 . . . . 0.0 109.454 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 CA-C-O 117.911 -1.494 . . . . 0.0 109.531 179.912 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mtp . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.314 0.578 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.19 83.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.214 -0.929 . . . . 0.0 109.192 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.9 p -64.47 -34.92 79.33 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.156 -0.965 . . . . 0.0 108.947 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -58.94 -42.36 89.6 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.75 94.89 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.17 95.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.414 -0.804 . . . . 0.0 109.226 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -41.53 93.26 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.48 -37.15 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.461 -0.775 . . . . 0.0 109.045 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.83 -37.81 77.4 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.73 98.44 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.1 p -68.94 -33.42 73.69 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.403 -0.811 . . . . 0.0 108.822 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.535 ' CB ' HE21 ' A' ' 28' ' ' GLN . . . -58.92 -44.96 91.39 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.339 -0.851 . . . . 0.0 109.075 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -63.43 -44.7 93.79 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.242 -0.911 . . . . 0.0 108.993 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -61.79 -40.27 94.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.387 -0.821 . . . . 0.0 109.168 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.01 -41.71 98.36 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.463 -0.773 . . . . 0.0 109.244 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -58.8 -38.6 78.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.279 -0.888 . . . . 0.0 108.77 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -60.46 -29.34 68.98 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -83.52 -10.95 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.413 -0.804 . . . . 0.0 109.61 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.4 18.22 53.23 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.8 mt -95.7 54.23 1.52 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -1.127 . . . . 0.0 109.119 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.07 -34.44 66.23 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.3 mm -61.33 -51.64 70.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.124 -1.221 . . . . 0.0 109.756 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.449 HD12 HG22 ' A' ' 23' ' ' ILE . 20.2 mm -64.88 -44.14 96.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.31 -0.868 . . . . 0.0 109.304 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.18 -38.91 93.83 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.441 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 72.8 t80 -63.96 -47.43 80.47 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.041 -1.27 . . . . 0.0 110.765 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.655 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 54.0 t80 -60.59 -46.62 89.57 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.195 -0.941 . . . . 0.0 111.455 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 pp -67.56 -34.13 76.44 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.717 -1.239 . . . . 0.0 110.232 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.535 HE21 ' CB ' ' A' ' 12' ' ' ALA . 91.0 mm-40 -60.08 -39.99 88.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.601 -1.312 . . . . 0.0 108.215 178.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 90.6 mt -61.93 -39.19 91.21 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.667 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 87.6 t80 -64.82 -38.29 90.49 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.51 -0.744 . . . . 0.0 109.848 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.3 -45.91 92.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.191 -0.943 . . . . 0.0 110.106 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 p -66.88 -44.64 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.927 -1.108 . . . . 0.0 109.266 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.61 -34.14 73.8 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.047 -1.033 . . . . 0.0 108.746 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.3 tp -63.88 -42.68 97.42 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.281 -0.887 . . . . 0.0 109.418 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.11 -47.28 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.267 -0.895 . . . . 0.0 109.9 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.9 mp -62.8 -35.4 79.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.195 -0.941 . . . . 0.0 109.261 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.9 t -84.26 -0.75 53.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -0.902 . . . . 0.0 108.794 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -86.29 150.77 24.12 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.612 -0.68 . . . . 0.0 109.822 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -55.98 151.46 11.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.327 -0.858 . . . . 0.0 109.146 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -57.84 129.52 42.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 110.263 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -122.07 170.63 9.66 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.3 p -57.76 163.57 2.52 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.198 -0.939 . . . . 0.0 109.749 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -57.6 -27.65 62.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.642 -0.661 . . . . 0.0 110.89 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -52.99 -45.39 67.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.786 -1.196 . . . . 0.0 109.799 -178.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 50.0 tpp -68.36 -36.93 79.96 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.95 -1.094 . . . . 0.0 108.921 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.1 m -59.67 -40.94 89.46 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.413 -0.804 . . . . 0.0 109.13 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.56 97.91 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.257 -0.902 . . . . 0.0 108.826 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.2 tp -60.11 -39.26 85.58 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.346 -0.847 . . . . 0.0 109.201 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.86 92.66 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.347 -0.846 . . . . 0.0 109.25 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 m -60.43 -41.65 94.45 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.217 -0.927 . . . . 0.0 108.952 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.86 -38.08 86.91 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.349 -0.845 . . . . 0.0 108.877 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.9 tp -59.79 -42.85 94.3 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.289 -0.882 . . . . 0.0 109.261 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 tp -61.26 -38.99 88.7 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.221 -0.924 . . . . 0.0 108.715 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -59.6 -39.55 84.58 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 59' ' ' PHE . 53.3 m -60.42 -41.8 94.71 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.633 -0.667 . . . . 0.0 109.385 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.58 -54.42 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.208 -0.932 . . . . 0.0 109.162 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' OE2' ' NZ ' ' A' ' 61' ' ' LYS . 85.0 tt0 -63.32 -39.44 94.55 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.43 -31.66 70.14 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.484 -0.76 . . . . 0.0 108.983 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 55' ' ' THR . 70.3 t80 -59.02 -54.35 48.08 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.325 -0.859 . . . . 0.0 109.754 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -62.82 -44.14 96.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.078 -1.014 . . . . 0.0 109.594 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.429 ' NZ ' ' OE2' ' A' ' 57' ' ' GLU . 18.4 mttt -83.15 -2.48 55.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.418 -0.801 . . . . 0.0 110.521 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 58' ' ' ALA . 84.5 tt0 -49.33 -36.56 21.61 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.077 -1.015 . . . . 0.0 109.543 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.456 HG23 HD11 ' A' ' 63' ' ' ILE . 92.7 mt -78.54 -41.21 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.801 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.82 -6.05 59.98 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.54 -8.47 77.22 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -69.08 -42.7 75.85 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.127 -1.219 . . . . 0.0 109.809 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.0 t -61.21 -22.25 64.59 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.401 -0.812 . . . . 0.0 110.112 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -52.8 -27.82 19.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.195 -0.941 . . . . 0.0 109.355 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.56 -26.85 34.66 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.11 -0.994 . . . . 0.0 108.918 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.601 ' O ' ' N ' ' A' ' 72' ' ' SER . 95.4 mt-10 -108.43 176.69 5.03 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.541 -0.724 . . . . 0.0 109.711 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' GLU . 92.4 m-20 -43.12 -15.22 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.484 -0.76 . . . . 0.0 109.92 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.601 ' N ' ' O ' ' A' ' 70' ' ' GLU . 1.8 t -50.41 -32.13 16.84 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.988 -1.07 . . . . 0.0 108.73 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -58.57 -41.46 85.75 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -60.77 -40.71 93.58 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -60.47 -37.4 80.88 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.34 -40.33 90.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.351 -0.843 . . . . 0.0 109.023 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -60.72 -45.38 94.49 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.092 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.66 -48.93 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.28 -0.888 . . . . 0.0 109.89 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 89.3 mtp -66.93 -45.36 78.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.314 -0.866 . . . . 0.0 110.433 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.511 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 84.5 m-20 -63.02 -39.87 96.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.024 -1.048 . . . . 0.0 110.58 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.555 ' CG2' ' HZ1' ' A' ' 88' ' ' LYS . 63.2 m -64.75 -48.47 74.45 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.066 -1.021 . . . . 0.0 111.185 -178.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.1 mt -72.88 -34.08 66.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.054 -1.029 . . . . 0.0 110.974 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.9 mt -77.53 -41.54 29.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.0 -1.062 . . . . 0.0 111.062 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.511 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 64.5 m80 -67.52 -47.68 69.25 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.065 -1.022 . . . . 0.0 111.044 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -84.15 115.33 22.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.872 -1.143 . . . . 0.0 110.138 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -61.9 -37.95 86.53 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.396 -0.815 . . . . 0.0 109.869 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.6 -43.5 98.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.072 -1.017 . . . . 0.0 109.623 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.555 ' HZ1' ' CG2' ' A' ' 81' ' ' THR . 96.0 mttt -63.97 -32.96 74.68 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.167 -0.958 . . . . 0.0 108.854 179.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.61 -40.85 72.92 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.225 -0.922 . . . . 0.0 109.608 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -64.3 -48.46 75.57 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.346 -0.846 . . . . 0.0 109.972 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.7 pp -69.39 -39.02 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.386 -0.821 . . . . 0.0 109.341 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.513 ' CZ ' ' CE1' ' A' ' 96' ' ' PHE . 59.8 t80 -58.78 -45.41 89.87 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.655 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 83.7 mtp -64.44 -38.6 91.61 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.328 -0.858 . . . . 0.0 109.232 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.6 tp -60.97 -39.55 90.01 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.068 -1.02 . . . . 0.0 109.391 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -66.86 -49.18 66.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.205 -0.935 . . . . 0.0 110.081 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.513 ' CE1' ' CZ ' ' A' ' 92' ' ' TYR . 59.0 m-85 -79.05 -49.2 13.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.257 -0.902 . . . . 0.0 109.94 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.527 ' N ' ' O ' ' A' ' 93' ' ' MET . 20.6 m -52.8 -42.75 65.36 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.098 -1.002 . . . . 0.0 108.576 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 52.8 ttm -65.26 -39.69 92.96 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.491 ' OG ' ' O ' ' A' ' 96' ' ' PHE . 83.8 p -64.13 -34.12 77.34 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.454 -0.778 . . . . 0.0 109.39 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.46 -43.69 96.64 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.142 -0.974 . . . . 0.0 109.323 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.669 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 88.3 t80 -61.33 -44.33 97.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.908 . . . . 0.0 109.78 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -58.84 -39.94 82.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.22 -0.925 . . . . 0.0 109.377 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -61.79 -41.09 97.29 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.353 -0.842 . . . . 0.0 109.631 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.562 ' HZ2' ' C ' ' A' ' 120' ' ' SER . 31.7 mmtp -61.34 -40.87 95.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.143 -0.973 . . . . 0.0 109.501 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 75.9 mt -58.67 -45.76 88.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.116 -0.99 . . . . 0.0 109.124 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -62.61 -39.76 94.8 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.195 -0.941 . . . . 0.0 109.923 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.591 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.3 mt-30 -62.25 -41.6 98.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.183 -0.948 . . . . 0.0 110.041 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.53 -37.35 82.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.867 -1.146 . . . . 0.0 109.318 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.565 ' NZ ' ' OD1' ' A' ' 110' ' ' ASP . 15.7 ttpp -74.47 -52.62 11.47 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.477 -0.764 . . . . 0.0 110.772 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.565 ' OD1' ' NZ ' ' A' ' 109' ' ' LYS . 89.7 m-20 -98.1 -22.46 16.21 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.293 -0.88 . . . . 0.0 110.715 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.82 155.34 17.75 Favored Glycine 0 N--CA 1.494 2.517 0 C-N-CA 119.673 -1.251 . . . . 0.0 110.315 -178.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -69.74 154.21 68.07 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.93 2.42 . . . . 0.0 112.065 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.504 ' CD1' ' N ' ' A' ' 113' ' ' TRP . 0.8 OUTLIER -89.17 122.65 32.67 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.171 -0.956 . . . . 0.0 109.551 -179.807 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 42.4 t0 -135.12 164.87 26.68 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.298 -0.876 . . . . 0.0 109.26 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.468 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 4.2 m -61.66 -32.19 53.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.379 -0.825 . . . . 0.0 109.707 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 68.3 mtm -59.59 -40.45 87.45 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.271 -0.893 . . . . 0.0 109.855 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 71.4 mt -65.11 -38.15 89.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.182 -0.949 . . . . 0.0 109.547 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -61.87 -42.37 98.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.294 -0.879 . . . . 0.0 109.784 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -63.67 -43.16 97.51 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.27 -0.894 . . . . 0.0 109.806 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.562 ' C ' ' HZ2' ' A' ' 104' ' ' LYS . 18.8 m -63.17 -39.45 94.69 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.333 -0.854 . . . . 0.0 109.597 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.507 ' N ' ' NZ ' ' A' ' 104' ' ' LYS . 38.0 tp -62.92 -41.35 99.44 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.25 -0.906 . . . . 0.0 109.463 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.428 ' CZ2' ' CD2' ' A' ' 158' ' ' LEU . 65.4 m95 -60.33 -39.54 87.43 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.203 -0.935 . . . . 0.0 109.271 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 76.6 m -62.08 -45.19 94.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.234 -0.916 . . . . 0.0 109.488 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 82.4 m -61.28 -48.19 82.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.14 -0.975 . . . . 0.0 109.659 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 71.1 mt -60.35 -36.66 70.43 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 O-C-N 121.192 -0.943 . . . . 0.0 108.892 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.93 -39.72 82.42 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.293 -0.88 . . . . 0.0 108.779 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.35 -40.89 97.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.262 -0.899 . . . . 0.0 109.084 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -64.09 -42.63 96.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.275 -0.891 . . . . 0.0 109.805 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.8 t -61.72 -42.15 98.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.113 -0.992 . . . . 0.0 109.813 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.667 ' SG ' ' CD1' ' A' ' 30' ' ' TYR . 60.0 m -68.47 -49.2 61.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.145 -0.972 . . . . 0.0 110.093 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 94.8 mt -62.7 -50.4 79.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 O-C-N 121.17 -0.956 . . . . 0.0 110.439 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 136' ' ' LYS . 85.2 mt -67.22 -39.32 86.24 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.237 -0.914 . . . . 0.0 110.355 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -62.33 -49.65 74.73 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.134 -0.979 . . . . 0.0 110.269 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 35.0 tp -65.98 -42.81 89.35 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.058 -1.026 . . . . 0.0 109.802 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -86.86 1.36 52.71 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.292 -0.88 . . . . 0.0 110.272 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 132' ' ' LEU . 28.3 tptp -51.16 -37.77 48.25 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.178 -0.951 . . . . 0.0 109.981 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -63.92 -24.01 67.57 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.067 -1.021 . . . . 0.0 109.495 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -92.2 -3.08 56.08 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.204 -0.935 . . . . 0.0 110.487 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.9 mm -103.99 139.43 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.033 -1.042 . . . . 0.0 109.568 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 52.1 p -77.86 155.97 30.68 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.383 -0.823 . . . . 0.0 108.998 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -50.62 -50.37 54.38 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.034 -1.041 . . . . 0.0 109.624 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 38.8 m -67.08 -42.68 84.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.975 -1.078 . . . . 0.0 109.246 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.4 t -59.16 -38.28 79.38 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.284 -0.885 . . . . 0.0 108.758 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.574 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -63.9 -39.17 93.57 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.196 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . 0.587 ' C ' HD21 ' A' ' 145' ' ' ASN . 0.2 OUTLIER -58.79 -40.75 84.96 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.351 -0.843 . . . . 0.0 109.118 179.554 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.3 m -62.93 -48.64 78.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -0.868 . . . . 0.0 109.658 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 56.1 mt -65.54 -43.45 89.93 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.205 -0.934 . . . . 0.0 108.796 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.587 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -64.37 -33.47 75.92 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -60.25 -44.45 95.26 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.354 -0.841 . . . . 0.0 109.109 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -62.81 -41.67 99.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.178 -0.951 . . . . 0.0 108.934 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.73 -39.5 85.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.333 -0.855 . . . . 0.0 108.887 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -57.53 -41.52 81.05 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -58.34 -41.65 85.07 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . 0.669 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 70.2 m -62.85 -50.86 69.26 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.436 -0.79 . . . . 0.0 108.88 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -62.64 -37.54 86.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.313 -0.867 . . . . 0.0 109.322 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 31.7 mt -58.54 -48.66 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 O-C-N 121.246 -0.909 . . . . 0.0 110.146 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -63.62 -40.77 97.73 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.428 ' CD2' ' CZ2' ' A' ' 122' ' ' TRP . 38.5 tp -58.93 -40.34 84.31 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.5 m -61.96 -37.15 83.68 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.361 -0.837 . . . . 0.0 108.98 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 165' ' ' GLU . 34.8 mttm -61.03 -43.2 99.24 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.276 -0.89 . . . . 0.0 109.181 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 8.5 mp -68.52 -33.32 73.92 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.223 -0.923 . . . . 0.0 109.32 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.9 82.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -0.912 . . . . 0.0 109.259 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -85.16 -5.8 59.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.207 -0.933 . . . . 0.0 109.213 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.3 -2.64 78.68 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 160' ' ' LYS . 84.2 tt0 -95.46 148.44 22.48 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.336 -1.096 . . . . 0.0 109.51 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 8.3 tp . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.463 -0.773 . . . . 0.0 109.433 179.618 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -59.65 -43.03 94.04 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.313 -0.867 . . . . 0.0 109.23 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -62.96 -43.28 99.24 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.172 -0.955 . . . . 0.0 109.196 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.57 -41.4 98.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.383 -0.823 . . . . 0.0 108.896 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.87 81.74 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.308 -0.87 . . . . 0.0 109.406 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -64.48 -35.78 82.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.13 -0.981 . . . . 0.0 109.254 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -66.47 -42.99 86.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.082 -1.011 . . . . 0.0 109.215 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.61 -47.2 70.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.378 -0.826 . . . . 0.0 109.763 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -60.02 -36.35 77.04 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.146 -0.971 . . . . 0.0 109.427 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.34 86.2 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.192 -0.943 . . . . 0.0 108.663 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 18.8 tp -61.87 -38.8 89.63 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.391 -0.818 . . . . 0.0 109.233 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -94.87 0.26 54.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 0.0 109.451 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 118.032 -1.427 . . . . 0.0 109.588 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.49 ' CB ' ' SD ' ' A' ' 45' ' ' MET . . . -59.85 -39.04 83.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.184 -0.948 . . . . 0.0 109.127 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -63.47 -39.17 93.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.231 -0.918 . . . . 0.0 109.035 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.85 -40.12 79.36 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.68 94.09 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.71 95.83 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.498 -0.751 . . . . 0.0 109.251 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.646 ' NH2' ' SG ' ' A' ' 123' ' ' CYS . 0.0 OUTLIER -60.33 -43.16 96.66 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.182 -0.949 . . . . 0.0 108.557 179.547 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.05 -37.1 76.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 121.455 -0.778 . . . . 0.0 108.979 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.49 -37.84 76.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.03 -41.14 96.0 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 p -70.57 -35.29 72.99 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.401 -0.812 . . . . 0.0 108.841 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.31 -48.2 77.18 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.368 -0.832 . . . . 0.0 108.794 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -63.57 -38.34 90.74 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.287 -0.883 . . . . 0.0 108.837 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -60.01 -41.85 93.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.357 -0.839 . . . . 0.0 109.779 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -62.95 -41.29 99.46 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.225 -0.922 . . . . 0.0 109.554 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -58.73 -40.12 82.85 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.141 -0.974 . . . . 0.0 109.056 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -62.23 -32.85 73.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.375 -0.828 . . . . 0.0 109.586 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.8 t -84.44 -8.2 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.382 -0.824 . . . . 0.0 109.655 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.62 7.68 68.72 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.1 mp -95.95 49.85 1.17 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.259 -1.142 . . . . 0.0 109.035 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.48 -29.05 52.72 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.6 mm -58.33 -48.68 84.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 121.161 -1.199 . . . . 0.0 109.737 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mm -65.44 -45.44 92.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.073 -1.017 . . . . 0.0 109.37 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.97 -37.32 92.49 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.446 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 68.8 t80 -64.38 -47.64 78.48 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.341 -1.094 . . . . 0.0 111.002 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.668 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 81.0 t80 -62.4 -47.09 85.67 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.049 -1.032 . . . . 0.0 111.098 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.45 -32.53 73.45 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.782 -1.198 . . . . 0.0 109.295 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -59.97 -41.91 92.98 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.446 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 87.4 mt -61.66 -37.89 85.7 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 178.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.662 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 79.4 t80 -64.99 -36.59 84.88 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.335 -0.853 . . . . 0.0 109.296 179.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.31 -46.05 91.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.341 -0.849 . . . . 0.0 110.251 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -64.69 -42.27 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.875 -1.141 . . . . 0.0 109.195 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.6 -35.52 78.08 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.904 -1.122 . . . . 0.0 108.875 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 27.0 tp -64.29 -42.24 96.49 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.297 -0.877 . . . . 0.0 109.93 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.38 -48.29 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.157 -0.965 . . . . 0.0 110.122 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.6 mp -65.52 -36.49 84.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.293 -0.88 . . . . 0.0 109.396 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.2 p -75.19 -20.12 59.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.244 -0.91 . . . . 0.0 108.79 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.525 ' OE2' ' NE ' ' A' ' 41' ' ' ARG . 84.3 tt0 -80.56 150.78 29.44 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.772 -0.58 . . . . 0.0 109.738 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.53 150.18 15.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -0.9 . . . . 0.0 109.531 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -58.44 141.05 52.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.418 -0.802 . . . . 0.0 110.32 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.525 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 83.6 mtt-85 -122.48 170.52 9.9 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.674 -0.641 . . . . 0.0 109.42 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 p -57.53 169.57 0.65 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.17 -0.956 . . . . 0.0 109.867 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.47 -32.08 64.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.539 -0.726 . . . . 0.0 110.716 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.85 -41.92 58.29 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.889 -1.132 . . . . 0.0 109.213 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.49 ' SD ' ' CB ' ' A' ' 2' ' ' ALA . 7.5 tpt -64.56 -38.98 92.87 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.281 -0.887 . . . . 0.0 108.778 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.5 m -60.99 -40.01 91.84 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.561 -0.712 . . . . 0.0 109.458 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.87 99.62 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.305 -0.872 . . . . 0.0 109.004 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.43 -37.23 85.05 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.314 -0.866 . . . . 0.0 109.111 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.89 92.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.25 -0.906 . . . . 0.0 108.805 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.0 m -61.63 -40.97 96.76 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.447 -0.783 . . . . 0.0 109.135 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.01 -41.71 97.06 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.314 -0.866 . . . . 0.0 109.243 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.4 mt -60.79 -39.34 88.52 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.19 -0.943 . . . . 0.0 109.077 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.407 ' CD2' ' NH1' ' B' ' 198' ' ' ARG . 19.3 tp -60.38 -40.08 89.57 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.202 -0.936 . . . . 0.0 108.757 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -59.91 -40.42 88.79 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.7 m -60.42 -41.2 93.48 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.574 -0.704 . . . . 0.0 109.488 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.2 mt -58.64 -51.69 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.937 . . . . 0.0 108.953 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.96 -36.51 81.66 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -68.56 -31.37 70.53 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' THR . 72.9 t80 -58.52 -53.97 52.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.343 -0.848 . . . . 0.0 108.974 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.89 -39.86 93.4 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.113 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -82.41 -1.98 51.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.393 -0.817 . . . . 0.0 109.988 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 58' ' ' ALA . 20.1 pt-20 -49.1 -31.1 7.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.198 -0.938 . . . . 0.0 110.157 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.1 pt -68.25 -34.02 63.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.05 -1.031 . . . . 0.0 109.75 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.32 -3.99 13.92 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.41 0.18 65.31 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.2 -45.37 85.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.141 -1.211 . . . . 0.0 109.436 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.8 m -62.6 -31.57 72.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.432 -0.792 . . . . 0.0 109.308 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.64 -28.59 67.36 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.398 -0.814 . . . . 0.0 109.814 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.08 97.43 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.062 -1.024 . . . . 0.0 110.283 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -134.68 145.38 48.48 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.286 -0.883 . . . . 0.0 109.968 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 48.64 42.62 19.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.286 -0.884 . . . . 0.0 109.182 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.51 ' HG ' ' N ' ' A' ' 73' ' ' ASP . 80.8 p -63.32 -38.41 91.06 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.314 -0.866 . . . . 0.0 110.163 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.51 ' N ' ' HG ' ' A' ' 72' ' ' SER . 89.7 m-20 -62.85 -41.91 99.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.031 -1.043 . . . . 0.0 109.878 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -65.03 -44.95 87.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.283 -0.885 . . . . 0.0 110.593 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.8 p -64.85 -41.49 95.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.991 -1.068 . . . . 0.0 110.134 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 96.2 mt -68.26 -38.26 81.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 109.922 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.454 ' O ' ' OG1' ' A' ' 81' ' ' THR . 75.8 t60 -61.66 -45.54 93.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.282 -0.886 . . . . 0.0 110.302 -179.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.4 t -69.28 -49.61 59.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.2 -0.937 . . . . 0.0 110.118 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 89.1 mtp -67.62 -46.32 72.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.036 -1.04 . . . . 0.0 110.127 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.602 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 56.9 t-20 -66.54 -44.01 83.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.34 -0.85 . . . . 0.0 111.034 -179.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 58.1 m -68.91 -48.99 61.96 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.169 -0.957 . . . . 0.0 111.96 -178.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.5 mt -72.38 -34.15 67.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.85 -1.157 . . . . 0.0 111.508 -178.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.7 mt -79.28 -42.3 23.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 120.95 -1.094 . . . . 0.0 111.339 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.602 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 72.9 m80 -74.58 -48.16 28.3 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.014 -1.054 . . . . 0.0 111.306 -178.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -85.07 110.64 19.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.799 -1.188 . . . . 0.0 109.997 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -61.76 -36.52 81.28 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.474 -0.766 . . . . 0.0 110.148 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.84 -43.35 94.66 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.096 -1.002 . . . . 0.0 109.8 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -64.01 -33.22 75.25 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.125 -0.984 . . . . 0.0 108.532 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.76 75.48 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.202 -0.936 . . . . 0.0 109.569 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.622 ' HZ1' ' CB ' ' A' ' 135' ' ' TRP . 16.8 tttp -62.23 -48.69 78.84 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.155 -0.966 . . . . 0.0 111.071 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.608 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -64.95 -38.45 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 120.618 -1.301 . . . . 0.0 108.76 -178.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.608 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 61.6 t80 -63.09 -43.8 97.49 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.668 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 73.9 mtm -70.38 -41.54 72.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.612 -0.68 . . . . 0.0 110.001 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.06 -40.61 94.32 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.092 -1.005 . . . . 0.0 109.213 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -63.02 -45.69 91.12 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.373 -0.829 . . . . 0.0 109.482 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -65.0 -43.05 93.81 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.39 -0.819 . . . . 0.0 109.598 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 64.8 p -59.76 -43.44 94.32 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.332 -0.855 . . . . 0.0 109.735 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.9 ttp -63.6 -44.84 92.82 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.251 -0.906 . . . . 0.0 109.036 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.7 t -68.82 -42.18 77.57 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.435 -0.79 . . . . 0.0 109.896 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.6 tp -65.13 -41.56 94.7 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.304 -0.872 . . . . 0.0 110.143 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.558 ' OH ' ' SG ' ' A' ' 154' ' ' CYS . 87.2 t80 -63.72 -45.69 88.81 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.2 -0.937 . . . . 0.0 110.146 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -59.61 -41.46 90.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.15 -0.969 . . . . 0.0 109.639 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.23 -40.86 95.62 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.311 -0.868 . . . . 0.0 109.738 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -62.36 -40.98 98.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.252 -0.905 . . . . 0.0 109.932 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.36 -44.73 92.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.135 -0.978 . . . . 0.0 109.356 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -60.75 -38.88 86.68 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.193 -0.942 . . . . 0.0 109.695 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.591 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.7 mt-30 -62.17 -39.61 93.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.255 -0.903 . . . . 0.0 109.992 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 63.1 mt -66.11 -37.85 86.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.978 -1.076 . . . . 0.0 109.506 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -78.02 -53.0 7.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.316 -0.865 . . . . 0.0 110.446 -179.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -89.6 -22.71 22.21 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.281 -0.887 . . . . 0.0 110.65 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -102.89 154.58 18.26 Favored Glycine 0 N--CA 1.493 2.49 0 C-N-CA 119.698 -1.239 . . . . 0.0 110.289 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.84 154.34 63.52 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 122.938 2.425 . . . . 0.0 111.983 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.586 ' CE2' ' OH ' ' A' ' 157' ' ' TYR . 25.9 m-90 -86.95 122.35 30.68 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.208 -0.932 . . . . 0.0 109.482 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 86.9 m-20 -134.64 166.09 23.72 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.357 -0.839 . . . . 0.0 109.366 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 m -64.1 -32.6 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.282 -0.887 . . . . 0.0 109.333 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.64 -40.8 88.84 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.415 -0.803 . . . . 0.0 109.647 -179.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.91 -37.71 88.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.393 -0.817 . . . . 0.0 109.514 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -59.48 -44.09 93.12 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.182 -0.949 . . . . 0.0 109.387 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 68.4 mtt85 -63.77 -40.56 96.99 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.27 -0.894 . . . . 0.0 109.511 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.0 p -64.8 -34.43 78.33 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.235 -0.916 . . . . 0.0 109.262 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 27.2 tp -64.82 -42.49 94.94 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.38 -0.825 . . . . 0.0 109.245 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -60.95 -40.28 92.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.282 -0.886 . . . . 0.0 109.338 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.646 ' SG ' ' NH2' ' A' ' 7' ' ' ARG . 73.2 m -62.07 -43.19 99.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.188 -0.945 . . . . 0.0 109.55 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -46.96 86.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.197 -0.939 . . . . 0.0 109.845 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.8 mt -60.34 -38.82 78.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.147 -0.971 . . . . 0.0 109.178 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.524 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.3 m-20 -61.57 -40.56 95.16 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.307 -0.871 . . . . 0.0 109.859 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.24 -45.06 95.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.127 -0.983 . . . . 0.0 109.874 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.432 ' CE2' ' NH2' ' A' ' 150' ' ' ARG . 30.2 t80 -72.05 -43.13 65.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.126 -0.984 . . . . 0.0 109.56 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.5 m -63.11 -38.64 91.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.298 -0.876 . . . . 0.0 109.92 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.662 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 82.8 m -65.98 -49.46 67.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.145 -0.972 . . . . 0.0 109.765 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.78 -47.73 89.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.19 -0.944 . . . . 0.0 109.699 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 136' ' ' LYS . 39.5 tp -61.74 -38.98 89.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.354 -0.842 . . . . 0.0 109.798 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -60.36 -49.65 76.74 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.256 -0.902 . . . . 0.0 110.258 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.13 -42.95 88.44 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.174 -0.954 . . . . 0.0 109.703 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . 0.622 ' CB ' ' HZ1' ' A' ' 90' ' ' LYS . 97.1 m95 -86.93 2.46 49.24 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.27 -0.894 . . . . 0.0 109.919 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 132' ' ' LEU . 19.7 tptm -51.53 -38.44 54.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.227 -0.921 . . . . 0.0 110.099 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.84 -21.9 66.01 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.238 -0.913 . . . . 0.0 109.778 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -92.16 -6.24 51.1 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.157 -0.964 . . . . 0.0 110.661 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.8 mm -104.63 146.86 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.158 -0.964 . . . . 0.0 109.48 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.8 m -77.01 155.06 32.85 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.325 -0.859 . . . . 0.0 109.207 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -57.36 -39.13 75.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.162 -0.961 . . . . 0.0 109.858 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 41.1 m -75.18 -45.08 42.91 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.78 -1.2 . . . . 0.0 109.996 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 47.2 m -61.65 -46.41 89.89 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.178 -0.951 . . . . 0.0 110.077 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' A' ' 145' ' ' ASN . 14.1 t -64.79 -39.87 94.31 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.982 -1.073 . . . . 0.0 108.321 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . 0.593 ' C ' HD21 ' A' ' 145' ' ' ASN . 0.1 OUTLIER -54.41 -41.15 68.97 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.363 -0.836 . . . . 0.0 108.765 179.243 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.9 m -62.68 -45.31 93.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.363 -0.836 . . . . 0.0 109.175 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 60.1 mt -65.77 -44.65 85.17 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 108.804 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -61.72 -34.6 76.09 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -61.31 -41.93 97.81 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.503 -0.748 . . . . 0.0 108.983 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.432 ' NH2' ' CE2' ' A' ' 128' ' ' PHE . 60.0 ttp180 -60.06 -42.08 93.75 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.201 -0.937 . . . . 0.0 108.532 179.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.02 -38.62 79.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -57.71 -41.36 81.57 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -57.98 -42.78 85.81 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . 0.558 ' SG ' ' OH ' ' A' ' 101' ' ' TYR . 5.2 m -62.86 -50.62 70.21 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -62.44 -34.41 76.73 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.405 -0.809 . . . . 0.0 109.411 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 18.9 mt -58.26 -49.24 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 O-C-N 121.222 -0.924 . . . . 0.0 110.227 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.586 ' OH ' ' CE2' ' A' ' 113' ' ' TRP . 61.8 t80 -64.43 -41.18 96.74 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 34.7 tp -59.55 -41.47 90.2 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 121.409 0.623 . . . . 0.0 109.345 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.2 m -60.88 -39.68 90.14 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.147 -0.971 . . . . 0.0 108.834 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -61.54 -38.09 86.16 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.304 -0.873 . . . . 0.0 108.907 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 73.9 mt -62.15 -37.84 86.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.228 -0.92 . . . . 0.0 108.707 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.53 -36.93 85.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.39 -0.819 . . . . 0.0 109.106 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -81.81 -10.66 59.27 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.346 -0.846 . . . . 0.0 109.371 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.51 1.03 72.01 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.67 147.6 23.13 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.165 -1.197 . . . . 0.0 109.706 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 37.4 mm . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.526 -0.734 . . . . 0.0 109.503 179.687 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.21 -40.51 90.4 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.374 -0.829 . . . . 0.0 108.851 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -61.84 -40.13 94.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 0.0 109.202 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.49 -40.64 87.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.252 -0.905 . . . . 0.0 109.067 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.08 -37.65 85.87 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.259 -0.901 . . . . 0.0 108.873 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.19 -35.28 80.58 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.363 -0.836 . . . . 0.0 109.205 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . 0.407 ' NH1' ' CD2' ' A' ' 53' ' ' LEU . 81.6 mtp180 -62.39 -42.5 99.47 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.228 -0.92 . . . . 0.0 109.238 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 7.6 tp -63.06 -44.95 94.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.191 -0.943 . . . . 0.0 108.99 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -60.58 -37.61 81.9 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.346 -0.846 . . . . 0.0 108.993 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.91 81.87 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.209 -0.932 . . . . 0.0 108.583 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.7 -39.53 84.88 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -97.31 1.25 49.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.399 -0.813 . . . . 0.0 109.542 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 117.961 -1.466 . . . . 0.0 109.596 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.351 0.596 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.25 -41.07 87.89 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.153 -0.967 . . . . 0.0 109.233 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -63.61 -37.74 88.48 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.191 -0.943 . . . . 0.0 108.981 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -56.45 -42.6 78.41 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.5 94.47 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.61 93.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.341 -0.849 . . . . 0.0 109.534 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -40.6 91.09 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.059 -1.026 . . . . 0.0 108.571 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.11 -37.18 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.48 -0.763 . . . . 0.0 109.433 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.61 -40.1 83.55 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.152 -0.968 . . . . 0.0 108.487 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.82 82.19 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.248 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.18 -34.36 78.2 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.79 -41.85 96.43 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.304 -0.872 . . . . 0.0 108.68 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -61.14 -38.75 87.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.339 -0.85 . . . . 0.0 108.775 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -58.55 -42.82 88.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.2 -0.938 . . . . 0.0 109.315 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -62.2 -40.84 97.4 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.317 -0.865 . . . . 0.0 109.422 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.489 ' OD1' ' OE2' ' A' ' 62' ' ' GLU . 53.0 t0 -58.68 -37.94 77.13 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.214 -0.929 . . . . 0.0 108.934 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -61.38 -32.47 72.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.44 -0.788 . . . . 0.0 109.078 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.6 t -83.83 -12.87 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.417 -0.802 . . . . 0.0 109.561 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.3 18.48 52.92 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.5 mt -95.83 54.66 1.53 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.344 -1.092 . . . . 0.0 109.2 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.19 -28.79 50.74 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 mm -58.36 -50.55 78.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 O-C-N 121.119 -1.224 . . . . 0.0 109.509 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.437 HD12 HG22 ' A' ' 23' ' ' ILE . 25.1 mm -63.85 -42.47 95.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.239 -0.913 . . . . 0.0 108.771 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.05 -40.38 95.49 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.43 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 71.0 t80 -62.75 -47.97 81.2 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.089 -1.242 . . . . 0.0 111.154 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.663 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 46.8 t80 -64.45 -47.03 80.59 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.965 -1.084 . . . . 0.0 111.497 -178.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.32 -34.73 77.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.704 -1.248 . . . . 0.0 110.075 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.11 -39.63 86.87 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.566 -1.334 . . . . 0.0 108.079 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.43 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 92.2 mt -62.76 -37.2 85.68 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -67.21 -37.36 83.49 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.269 -0.894 . . . . 0.0 109.399 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.5 93.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.309 -0.869 . . . . 0.0 110.369 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.41 ' CG1' ' O ' ' A' ' 29' ' ' LEU . 2.2 p -64.08 -42.82 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.88 -1.138 . . . . 0.0 108.832 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.65 -34.64 76.05 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.998 -1.064 . . . . 0.0 108.743 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.6 tp -63.22 -43.15 98.91 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.49 -0.756 . . . . 0.0 109.806 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.81 -48.1 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 O-C-N 121.087 -1.008 . . . . 0.0 109.709 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.486 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.4 mp -65.05 -36.44 84.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.292 -0.88 . . . . 0.0 109.417 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.4 p -72.77 -20.89 61.09 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.58 ' OE2' ' NE ' ' A' ' 41' ' ' ARG . 80.0 tt0 -78.34 151.33 32.96 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.58 151.0 11.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.288 -0.882 . . . . 0.0 109.507 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.11 130.39 46.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.444 -0.785 . . . . 0.0 110.088 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.58 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 96.4 mtt-85 -122.3 170.94 9.42 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.766 -0.584 . . . . 0.0 109.681 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.8 p -57.52 169.04 0.71 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.338 -0.851 . . . . 0.0 110.555 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -56.65 -24.73 50.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.858 -0.526 . . . . 0.0 111.317 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.57 -44.73 47.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.718 -1.239 . . . . 0.0 109.678 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -36.08 79.02 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.947 -1.095 . . . . 0.0 109.132 178.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.5 m -59.61 -41.91 91.45 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.311 -0.868 . . . . 0.0 109.252 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.27 95.12 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.163 -0.961 . . . . 0.0 108.812 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.98 -38.07 89.66 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.336 -0.853 . . . . 0.0 109.108 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.9 87.15 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.257 -0.902 . . . . 0.0 108.692 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 m -62.92 -38.17 89.92 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.371 -0.83 . . . . 0.0 109.188 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.98 -43.98 98.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.385 -0.822 . . . . 0.0 109.987 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.66 -39.64 94.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.991 -1.068 . . . . 0.0 109.353 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.3 tp -59.8 -40.37 88.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.17 -0.956 . . . . 0.0 108.773 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -61.66 -38.18 86.81 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.3 m -60.05 -41.97 93.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.661 -0.649 . . . . 0.0 109.746 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.0 mt -58.15 -49.77 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.117 -0.989 . . . . 0.0 109.18 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -62.23 -37.55 85.82 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.7 -34.73 77.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.481 -0.762 . . . . 0.0 109.044 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -58.97 -53.91 53.08 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.231 -0.918 . . . . 0.0 109.361 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.426 ' NZ ' ' CG2' ' A' ' 83' ' ' ILE . 26.9 mttm -59.81 -41.17 90.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.147 -0.971 . . . . 0.0 109.345 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -82.8 -2.4 54.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.403 -0.811 . . . . 0.0 110.067 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.489 ' OE2' ' OD1' ' A' ' 16' ' ' ASP . 86.6 tt0 -49.41 -35.25 18.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.122 -0.986 . . . . 0.0 109.919 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.404 ' CD1' ' SD ' ' A' ' 79' ' ' MET . 79.6 mt -68.55 -40.33 81.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.111 -0.993 . . . . 0.0 109.769 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.42 -5.22 60.91 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.14 -3.02 79.91 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -64.86 -47.11 79.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.055 -1.262 . . . . 0.0 108.531 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 t -70.74 -31.11 67.83 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.15 -29.5 65.63 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.663 -0.648 . . . . 0.0 109.802 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.24 -35.69 67.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.957 -1.089 . . . . 0.0 109.822 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -111.19 137.2 49.18 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.331 -0.856 . . . . 0.0 109.466 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 50.8 45.3 27.44 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.181 -0.95 . . . . 0.0 108.768 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.8 p -56.63 -35.16 68.02 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.482 -0.762 . . . . 0.0 110.324 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.59 ' O ' ' CD2' ' A' ' 77' ' ' HIS . 30.4 p-10 -64.89 -43.94 91.28 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.03 -1.044 . . . . 0.0 110.493 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.567 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 98.5 mttt -64.46 -38.37 90.79 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.21 -0.932 . . . . 0.0 109.962 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.3 m -63.08 -44.92 94.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 0.0 110.063 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.29 -39.29 82.13 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.279 -0.888 . . . . 0.0 110.015 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 72.0 m-70 -59.25 -45.17 91.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.152 -0.968 . . . . 0.0 110.353 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.4 t -67.85 -49.46 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.059 -1.026 . . . . 0.0 110.302 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.41 ' O ' ' CG1' ' A' ' 83' ' ' ILE . 70.2 mtm -67.94 -46.27 71.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.121 -0.987 . . . . 0.0 110.785 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -69.29 -43.08 74.57 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.925 -1.11 . . . . 0.0 111.472 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.1 m -69.01 -49.32 58.78 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.12 -0.988 . . . . 0.0 111.941 -178.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.9 mt -73.21 -33.63 65.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.966 -1.084 . . . . 0.0 111.549 -177.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.426 ' CG2' ' NZ ' ' A' ' 60' ' ' LYS . 76.3 mt -79.4 -40.31 21.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 120.884 -1.135 . . . . 0.0 111.698 -178.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -83.76 -36.67 23.44 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.88 -1.138 . . . . 0.0 111.951 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -86.17 114.61 23.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.64 -1.287 . . . . 0.0 110.157 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.496 ' CG ' ' N ' ' A' ' 87' ' ' GLU . 10.5 pt20 -62.23 -41.12 98.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.586 -0.697 . . . . 0.0 110.566 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.496 ' N ' ' CG ' ' A' ' 86' ' ' GLN . 97.0 mt-10 -63.3 -40.09 96.38 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.241 -0.912 . . . . 0.0 110.416 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -60.6 -32.4 71.53 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.935 -1.103 . . . . 0.0 108.663 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.44 -41.66 72.57 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.262 -0.898 . . . . 0.0 109.212 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 94' ' ' LEU . 28.1 tttt -65.19 -48.59 72.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.213 -0.929 . . . . 0.0 110.752 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.407 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -63.53 -41.8 93.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 120.824 -1.173 . . . . 0.0 108.938 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.407 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 55.4 t80 -64.17 -48.85 74.35 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.663 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 83.4 mtp -68.09 -40.36 82.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.377 -0.827 . . . . 0.0 109.757 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 90' ' ' LYS . 31.5 tp -60.39 -39.15 86.28 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -61.15 -44.75 96.83 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.407 -0.808 . . . . 0.0 108.884 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -65.19 -43.37 91.84 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.474 -0.766 . . . . 0.0 109.482 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.5 ' HG1' ' N ' ' A' ' 98' ' ' MET . 63.7 p -59.81 -42.54 93.69 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.235 -0.916 . . . . 0.0 109.533 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.5 ' N ' ' HG1' ' A' ' 97' ' ' THR . 60.2 ttp -60.38 -45.55 93.13 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.327 -0.858 . . . . 0.0 108.852 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 m -67.02 -41.55 86.43 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.388 -0.82 . . . . 0.0 109.174 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.5 tp -64.41 -39.01 93.03 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.4 -0.813 . . . . 0.0 109.542 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -61.6 -48.26 81.74 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.304 -0.873 . . . . 0.0 110.05 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -63.87 -47.18 81.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.074 -1.016 . . . . 0.0 109.483 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.15 -34.84 79.35 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.427 -0.796 . . . . 0.0 109.577 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -60.81 -46.0 92.24 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.192 -0.942 . . . . 0.0 109.529 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.88 -46.51 90.31 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.253 -0.904 . . . . 0.0 109.17 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -60.78 -37.35 81.59 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 121.098 -1.001 . . . . 0.0 109.076 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 111' ' ' GLY . 63.2 tt0 -60.59 -39.57 88.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.331 -0.856 . . . . 0.0 109.363 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.05 -43.0 99.84 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.165 -0.96 . . . . 0.0 109.494 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -78.61 -52.36 8.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.272 -0.892 . . . . 0.0 110.094 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -77.44 -23.51 50.5 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.418 -0.801 . . . . 0.0 110.314 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.594 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -105.86 154.12 17.03 Favored Glycine 0 N--CA 1.494 2.557 0 C-N-CA 119.729 -1.224 . . . . 0.0 110.268 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -71.54 154.22 60.18 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.901 2.401 . . . . 0.0 112.053 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.413 ' O ' ' OD1' ' A' ' 114' ' ' ASP . 15.3 m-90 -94.17 120.44 34.42 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.154 -0.966 . . . . 0.0 109.627 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.3 m-20 -134.91 163.42 29.87 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.345 -0.847 . . . . 0.0 108.882 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -59.83 -36.74 68.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 O-C-N 120.972 -1.08 . . . . 0.0 108.661 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.457 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 1.8 mpp? -60.59 -40.57 92.26 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.532 -0.73 . . . . 0.0 109.34 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.409 ' O ' ' OG ' ' A' ' 120' ' ' SER . 8.6 tt -62.56 -39.69 94.46 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.406 -0.809 . . . . 0.0 109.382 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -60.15 -41.26 92.41 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.249 -0.907 . . . . 0.0 109.057 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -61.78 -40.22 94.42 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.417 -0.802 . . . . 0.0 109.177 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 117' ' ' LEU . 86.5 p -64.63 -35.1 79.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.346 -0.846 . . . . 0.0 109.493 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.44 -41.0 96.8 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.161 -0.962 . . . . 0.0 109.005 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -61.97 -39.38 91.94 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.294 -0.879 . . . . 0.0 109.16 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.65 -42.62 99.16 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.284 -0.885 . . . . 0.0 109.531 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 24.6 m -60.0 -44.9 94.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.185 -0.947 . . . . 0.0 109.384 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.51 -37.88 76.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.562 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.1 m-20 -61.82 -40.2 94.45 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.387 -0.821 . . . . 0.0 109.538 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.568 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 83.9 mt -58.88 -51.47 69.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.153 -0.967 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -72.67 -43.4 63.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.325 -0.86 . . . . 0.0 109.576 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.0 m -64.33 -38.79 92.28 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.37 -0.831 . . . . 0.0 110.489 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 127' ' ' LEU . 29.5 p -68.22 -50.37 54.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.984 -1.072 . . . . 0.0 109.904 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.531 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 83.5 mt -62.4 -46.15 97.09 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 O-C-N 121.022 -1.049 . . . . 0.0 109.204 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 136' ' ' LYS . 20.5 tp -61.08 -36.82 80.66 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.559 -0.713 . . . . 0.0 109.137 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -59.2 -46.56 88.1 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.368 -0.832 . . . . 0.0 110.257 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.78 -47.12 82.2 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.008 -1.058 . . . . 0.0 110.018 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -88.56 4.2 47.7 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.374 -0.829 . . . . 0.0 110.722 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 132' ' ' LEU . 2.4 tttm -53.42 -40.77 65.39 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.037 -1.04 . . . . 0.0 109.348 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.51 -17.46 64.17 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.33 -0.856 . . . . 0.0 109.179 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -88.95 -8.17 54.65 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.425 -0.797 . . . . 0.0 110.21 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.7 mt -108.61 147.04 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.242 -0.911 . . . . 0.0 109.595 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.577 ' HG ' ' H ' ' A' ' 143' ' ' SER . 56.3 p -77.15 154.92 32.7 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.33 -0.856 . . . . 0.0 109.333 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.85 -42.41 84.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.304 -0.873 . . . . 0.0 110.076 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.6 m -64.38 -46.44 83.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.893 -1.129 . . . . 0.0 109.47 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.577 ' H ' ' HG ' ' A' ' 140' ' ' SER . 24.9 m -64.87 -45.79 84.57 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.158 -0.964 . . . . 0.0 108.635 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.419 HG21 ' N ' ' A' ' 145' ' ' ASN . 0.5 OUTLIER -63.61 -39.94 95.65 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.158 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . 0.49 ' ND2' ' NZ ' ' A' ' 149' ' ' LYS . 8.9 t30 -49.9 -44.99 50.4 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.274 -0.891 . . . . 0.0 108.674 179.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.2 m -61.49 -42.05 98.2 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.679 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 147' ' ' LEU . 7.3 mp -66.5 -39.07 88.49 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.302 -0.873 . . . . 0.0 109.584 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -60.27 -37.55 80.79 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 118.812 -1.155 . . . . 0.0 108.096 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.49 ' NZ ' ' ND2' ' A' ' 145' ' ' ASN . 21.0 mttt -61.86 -41.41 97.81 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.436 -0.79 . . . . 0.0 109.471 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -58.42 -42.44 87.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.086 -1.009 . . . . 0.0 108.675 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 31.3 mm -64.59 -41.36 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 12.8 tttm -57.61 -39.87 77.85 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -59.18 -44.17 92.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.345 -0.847 . . . . 0.0 108.778 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 3.8 m -61.9 -50.7 71.14 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.303 -0.873 . . . . 0.0 108.725 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -63.06 -33.36 75.27 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.466 -0.771 . . . . 0.0 109.573 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 11.7 mt -58.12 -49.17 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.146 -0.972 . . . . 0.0 110.163 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -64.05 -43.84 94.28 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 119.058 -1.057 . . . . 0.0 108.353 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 35.9 tp -59.57 -39.79 85.23 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.2 m -60.45 -42.82 96.94 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.172 -0.955 . . . . 0.0 109.433 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -62.4 -37.36 85.49 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.113 -0.992 . . . . 0.0 109.208 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 64.9 mt -59.42 -39.07 82.3 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.998 -1.064 . . . . 0.0 108.4 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.48 80.98 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -81.33 -12.81 58.92 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.306 -0.871 . . . . 0.0 109.165 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.7 0.11 69.67 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -94.89 145.96 24.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.156 -1.202 . . . . 0.0 109.797 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 38.0 mm . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.409 -0.807 . . . . 0.0 109.441 179.668 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.62 -40.49 95.05 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.286 -0.884 . . . . 0.0 109.136 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -61.24 -42.21 98.22 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.373 -0.829 . . . . 0.0 109.375 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.16 -41.75 89.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.178 -0.951 . . . . 0.0 109.097 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.96 -40.39 94.93 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.28 -0.887 . . . . 0.0 109.484 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.07 -35.78 82.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.196 -0.94 . . . . 0.0 109.431 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -62.11 -44.2 97.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.26 -0.9 . . . . 0.0 109.237 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.92 -42.69 97.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.234 -0.916 . . . . 0.0 109.772 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 200' ' ' ARG . . . . . 0.464 ' O ' ' OXT' ' B' ' 204' ' ' GLY . 57.8 mtp180 -59.03 -36.37 74.88 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.099 -1.001 . . . . 0.0 108.782 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.53 -36.37 83.61 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 15.3 tp -59.24 -39.29 82.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.409 -0.807 . . . . 0.0 108.827 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -92.96 -2.63 55.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.342 -0.849 . . . . 0.0 109.388 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 204' ' ' GLY . . . . . 0.464 ' OXT' ' O ' ' B' ' 200' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.236 0 CA-C-O 118.004 -1.442 . . . . 0.0 109.534 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.425 ' CB ' ' OE2' ' A' ' 38' ' ' GLU . . . -59.93 -39.34 85.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 0.0 109.322 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -63.88 -38.79 92.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.221 -0.925 . . . . 0.0 109.312 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -59.16 -39.89 83.9 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.39 93.05 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.29 -47.22 84.35 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.419 -0.8 . . . . 0.0 109.677 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -60.91 -40.6 93.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.1 -1.0 . . . . 0.0 109.281 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.42 -39.55 84.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.33 -0.856 . . . . 0.0 109.47 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.98 -41.8 90.49 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.216 -0.928 . . . . 0.0 108.653 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -45.54 78.47 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.306 -0.871 . . . . 0.0 109.102 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.07 -33.33 75.26 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.76 97.16 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.24 -0.912 . . . . 0.0 108.946 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -61.51 -40.79 95.88 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.236 -0.915 . . . . 0.0 108.558 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -59.14 -39.17 81.55 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.441 -0.787 . . . . 0.0 109.054 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -62.64 -42.54 99.66 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.523 -0.736 . . . . 0.0 109.539 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -58.78 -39.41 80.95 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.927 . . . . 0.0 109.0 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -61.42 -32.92 72.88 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.404 -0.81 . . . . 0.0 109.357 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.2 t -84.12 -14.41 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -0.883 . . . . 0.0 109.722 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.12 23.61 34.35 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.2 mt -95.29 54.11 1.59 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.282 -1.128 . . . . 0.0 109.02 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.1 -27.55 67.48 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.0 mm -58.2 -55.13 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 120.91 -1.347 . . . . 0.0 109.765 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mp -68.07 -33.81 63.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.007 -1.058 . . . . 0.0 108.565 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.2 -46.18 94.21 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.438 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 66.9 t80 -60.98 -48.25 82.69 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.101 -1.235 . . . . 0.0 109.835 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.521 ' CB ' ' SD ' ' A' ' 93' ' ' MET . 87.5 t80 -67.61 -45.62 74.9 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.226 -0.921 . . . . 0.0 110.943 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -67.39 -36.57 81.59 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.902 -1.124 . . . . 0.0 110.133 -179.019 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.47 ' NE2' ' CG2' ' A' ' 55' ' ' THR . 84.8 mt-30 -62.8 -40.26 96.8 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.823 -1.173 . . . . 0.0 108.931 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.438 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 85.4 mt -61.04 -38.2 85.3 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.665 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 78.7 t80 -65.83 -36.02 82.3 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.158 -0.964 . . . . 0.0 109.166 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.51 -45.93 92.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.305 -0.872 . . . . 0.0 110.234 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.0 p -65.6 -41.95 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.769 -1.207 . . . . 0.0 108.93 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.515 ' OE2' ' NH1' ' B' ' 203' ' ' ARG . 97.5 mt-10 -61.65 -35.61 78.43 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.87 -1.144 . . . . 0.0 108.917 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 tp -63.41 -42.06 98.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.377 -0.827 . . . . 0.0 109.607 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.427 HG21 HD12 ' A' ' 35' ' ' ILE . 82.9 mt -63.89 -48.2 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 O-C-N 121.167 -0.958 . . . . 0.0 109.804 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.3 mp -64.17 -35.57 81.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.321 -0.862 . . . . 0.0 109.3 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.0 m -80.79 -0.35 38.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.305 -0.872 . . . . 0.0 108.72 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' OE2' ' CB ' ' A' ' 2' ' ' ALA . 84.5 tt0 -94.48 150.66 20.04 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.627 -0.671 . . . . 0.0 109.378 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.36 150.09 15.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.162 -0.961 . . . . 0.0 109.036 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -58.38 129.04 40.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.25 -0.906 . . . . 0.0 110.018 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -122.93 171.55 9.14 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.3 p -57.15 171.62 0.36 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.32 -0.862 . . . . 0.0 110.378 -178.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -55.5 -24.0 29.24 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.767 -0.583 . . . . 0.0 111.079 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.22 -41.62 37.84 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.684 -1.26 . . . . 0.0 109.509 -178.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -35.62 79.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.88 -1.138 . . . . 0.0 109.262 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.0 m -59.31 -42.84 92.31 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.273 -0.892 . . . . 0.0 109.39 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.71 93.68 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.224 -0.922 . . . . 0.0 109.038 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.28 -39.51 90.69 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.412 -0.805 . . . . 0.0 109.356 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.95 98.11 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.318 -0.864 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 m -60.61 -40.19 90.95 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.236 -0.915 . . . . 0.0 109.134 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.56 -39.22 92.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.335 -0.853 . . . . 0.0 109.649 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.09 -41.91 98.67 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.18 -0.95 . . . . 0.0 109.699 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.45 -41.73 98.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.12 -0.987 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -62.77 -40.68 98.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.458 -0.776 . . . . 0.0 109.419 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.47 ' CG2' ' NE2' ' A' ' 28' ' ' GLN . 25.6 m -60.45 -42.41 96.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.529 -0.732 . . . . 0.0 109.934 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.8 mt -59.34 -47.3 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.113 -0.992 . . . . 0.0 109.04 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.572 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.9 mt-10 -61.89 -36.17 80.5 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -63.92 -36.1 82.84 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -60.58 -54.5 44.61 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.134 -0.979 . . . . 0.0 109.005 179.602 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -60.48 -39.16 86.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.114 -0.991 . . . . 0.0 108.82 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -82.37 -2.22 52.29 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.446 -0.783 . . . . 0.0 109.831 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 58' ' ' ALA . 84.5 tt0 -49.16 -31.62 8.65 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.164 -0.96 . . . . 0.0 110.014 -179.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.432 ' C ' ' H ' ' A' ' 65' ' ' GLY . 29.7 mm -67.13 -40.24 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.015 -1.053 . . . . 0.0 109.165 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.62 -5.81 10.34 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 89.79 -7.99 80.69 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -67.22 -47.2 71.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.047 -1.266 . . . . 0.0 108.856 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.9 t -73.48 -30.84 63.42 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -58.68 -30.84 67.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.566 -0.709 . . . . 0.0 109.98 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.27 -36.8 66.5 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.036 -1.04 . . . . 0.0 109.788 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -106.05 134.35 49.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.26 -0.9 . . . . 0.0 109.208 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 50.08 46.36 24.65 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.06 -1.025 . . . . 0.0 108.362 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.4 t -50.56 -39.52 49.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.532 -0.73 . . . . 0.0 110.226 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.587 ' OD1' ' N ' ' A' ' 74' ' ' LYS . 32.9 p-10 -63.18 -40.9 98.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.111 -0.993 . . . . 0.0 110.128 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.587 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 56.4 tttt -62.75 -39.35 93.87 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.224 -0.922 . . . . 0.0 109.775 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.6 p -64.48 -42.65 95.76 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.281 -0.887 . . . . 0.0 109.891 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.1 mt -68.41 -39.6 81.55 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.322 -0.861 . . . . 0.0 109.825 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 77.5 m-70 -60.91 -45.1 96.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.313 -0.867 . . . . 0.0 110.455 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.62 -49.99 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.053 -1.029 . . . . 0.0 110.133 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.411 ' SD ' ' CG1' ' A' ' 63' ' ' ILE . 70.6 mtm -68.56 -46.55 69.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.186 -0.947 . . . . 0.0 110.819 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.46 ' CA ' ' HD1' ' A' ' 84' ' ' HIS . 80.5 m-20 -69.82 -42.95 72.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.081 -1.012 . . . . 0.0 111.482 -178.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 39.4 m -65.73 -49.63 67.73 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.109 -0.994 . . . . 0.0 111.884 -177.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.2 mt -72.49 -33.93 67.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.844 -1.16 . . . . 0.0 111.084 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 86.1 mt -79.31 -34.49 16.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.065 -1.022 . . . . 0.0 111.456 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.46 ' HD1' ' CA ' ' A' ' 80' ' ' ASN . 73.3 m80 -92.87 -37.97 11.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.872 -1.143 . . . . 0.0 111.757 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -84.25 107.6 16.65 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.721 -1.237 . . . . 0.0 110.372 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.25 -36.93 83.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.455 -0.778 . . . . 0.0 110.223 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.19 -45.2 95.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.056 -1.027 . . . . 0.0 108.843 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -68.57 -34.35 75.67 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.27 -47.68 55.5 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.449 -0.782 . . . . 0.0 110.315 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -61.53 -48.34 81.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.081 -1.012 . . . . 0.0 110.576 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 pp -61.76 -41.21 89.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 120.995 -1.066 . . . . 0.0 108.926 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -63.67 -48.53 76.8 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.521 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 75.8 mtm -65.73 -41.9 91.66 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.359 -0.838 . . . . 0.0 109.307 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.88 -39.75 93.02 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.273 -0.892 . . . . 0.0 109.187 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -59.83 -44.98 93.78 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.388 -0.82 . . . . 0.0 109.546 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -63.69 -44.42 93.73 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.269 -0.895 . . . . 0.0 109.709 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.1 p -61.96 -42.83 99.56 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.262 -0.899 . . . . 0.0 109.964 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 91.1 mtp -64.78 -43.43 93.24 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.076 -1.015 . . . . 0.0 109.273 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.5 m -70.11 -42.12 73.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.421 -0.8 . . . . 0.0 109.436 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.64 -42.92 98.1 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.356 -0.84 . . . . 0.0 109.704 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.612 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 82.8 t80 -61.01 -42.83 99.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.323 -0.861 . . . . 0.0 109.758 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -58.83 -41.39 86.77 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.278 -0.889 . . . . 0.0 109.522 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.31 -39.3 92.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.284 -0.885 . . . . 0.0 109.669 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.585 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 39.6 mmtt -62.6 -40.44 96.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.235 -0.916 . . . . 0.0 109.489 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.17 -44.62 94.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.259 -0.901 . . . . 0.0 109.507 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -60.71 -39.46 88.63 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.197 -0.939 . . . . 0.0 109.845 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 111' ' ' GLY . 94.7 mt-30 -62.89 -40.89 98.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.204 -0.935 . . . . 0.0 110.027 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.84 -37.42 87.56 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.84 -1.163 . . . . 0.0 109.728 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -78.12 -53.31 7.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.252 -0.905 . . . . 0.0 110.742 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -98.5 -22.91 15.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.232 -0.917 . . . . 0.0 110.897 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -88.6 153.32 23.95 Favored Glycine 0 N--CA 1.492 2.432 0 C-N-CA 119.494 -1.336 . . . . 0.0 110.017 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.93 153.39 72.7 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 122.806 2.337 . . . . 0.0 111.902 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.419 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 15.3 m-90 -92.46 115.06 27.76 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.122 -0.986 . . . . 0.0 109.76 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 43.8 t0 -135.57 167.31 21.34 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.341 -0.849 . . . . 0.0 109.211 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.46 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 3.9 m -62.27 -32.56 55.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.367 -0.833 . . . . 0.0 109.623 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.401 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.2 mtm -60.13 -39.9 87.88 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.288 -0.882 . . . . 0.0 109.923 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.6 mm? -65.29 -38.79 91.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.217 -0.927 . . . . 0.0 109.403 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -60.93 -42.79 98.86 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.292 -0.88 . . . . 0.0 109.539 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -62.12 -42.36 99.16 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.331 -0.856 . . . . 0.0 109.879 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.585 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 8.2 t -64.52 -43.4 94.16 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.26 -0.9 . . . . 0.0 109.807 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 41.1 tp -62.3 -43.08 99.66 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.297 -0.877 . . . . 0.0 109.495 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -61.93 -39.74 93.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.144 -0.972 . . . . 0.0 108.962 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.6 m -64.38 -41.16 96.84 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.218 -0.926 . . . . 0.0 108.735 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 70.8 m -59.31 -44.26 92.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.346 -0.846 . . . . 0.0 109.269 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.0 -38.53 77.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.19 -0.944 . . . . 0.0 108.926 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.531 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.5 m-20 -60.23 -39.06 85.37 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.347 -0.846 . . . . 0.0 109.041 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.24 -42.98 99.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.398 -0.813 . . . . 0.0 109.259 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.406 ' O ' ' CB ' ' A' ' 132' ' ' LEU . 26.4 m-85 -66.55 -43.4 85.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.36 -0.837 . . . . 0.0 109.81 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.0 m -64.7 -38.01 89.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.335 -0.853 . . . . 0.0 110.246 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.665 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 60.0 m -67.32 -49.54 63.72 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.214 -0.929 . . . . 0.0 110.249 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.431 HG13 ' H ' ' A' ' 132' ' ' LEU . 1.1 pp -77.29 -43.27 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.091 -1.005 . . . . 0.0 110.285 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.431 ' H ' HG13 ' A' ' 131' ' ' ILE . 44.5 tp -62.22 -40.99 97.97 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.901 -1.124 . . . . 0.0 109.808 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -68.48 -49.49 59.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -0.891 . . . . 0.0 111.048 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.91 -47.1 86.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.909 -1.119 . . . . 0.0 110.652 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 11.9 m-90 -88.01 4.66 44.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.042 -1.036 . . . . 0.0 110.462 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -49.18 -37.41 22.47 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.221 -0.924 . . . . 0.0 109.514 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -62.78 -26.24 68.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.222 -0.924 . . . . 0.0 109.243 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -89.3 -0.74 57.7 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.273 -0.892 . . . . 0.0 109.853 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.1 mm -102.67 143.17 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.016 -1.053 . . . . 0.0 109.229 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' SER . . . . . 0.596 ' H ' ' HG ' ' A' ' 143' ' ' SER . 28.9 t -77.97 154.03 31.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.874 . . . . 0.0 109.186 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.16 -41.99 72.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.198 -0.939 . . . . 0.0 109.762 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 39.5 m -72.87 -44.18 61.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.879 -1.138 . . . . 0.0 109.454 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.596 ' HG ' ' H ' ' A' ' 140' ' ' SER . 87.8 p -63.46 -41.53 98.62 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.24 -0.913 . . . . 0.0 109.373 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.527 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.5 OUTLIER -62.03 -39.05 90.99 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.07 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . 0.677 ' ND2' ' NZ ' ' A' ' 149' ' ' LYS . 0.1 OUTLIER -58.1 -42.61 86.04 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.549 -0.719 . . . . 0.0 109.366 179.658 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.4 m -60.96 -47.4 86.6 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.251 -0.906 . . . . 0.0 110.129 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.69 -38.8 92.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.083 -1.011 . . . . 0.0 108.941 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.618 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -62.19 -36.95 83.49 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.332 -0.855 . . . . 0.0 109.282 179.641 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.677 ' NZ ' ' ND2' ' A' ' 145' ' ' ASN . 29.3 mttp -62.74 -42.55 99.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.125 -0.984 . . . . 0.0 109.464 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -63.23 -42.05 99.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.182 -0.949 . . . . 0.0 109.381 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.14 -41.51 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.333 -0.854 . . . . 0.0 109.357 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -59.31 -40.68 86.99 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.331 -0.856 . . . . 0.0 108.799 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -58.51 -43.68 89.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.406 -0.809 . . . . 0.0 109.146 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . 0.612 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 4.2 m -65.4 -50.33 65.89 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.293 -0.879 . . . . 0.0 108.857 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -60.23 -35.97 76.65 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 13.8 mt -58.49 -41.9 82.99 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 O-C-N 121.435 -0.791 . . . . 0.0 109.535 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.419 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 74.1 t80 -62.6 -40.18 96.11 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.288 -0.883 . . . . 0.0 108.677 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 88.1 mt -58.83 -40.96 85.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.204 -0.935 . . . . 0.0 109.188 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.7 m -62.11 -40.64 96.55 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.2 -0.938 . . . . 0.0 109.205 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -61.82 -38.61 88.8 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.192 -0.942 . . . . 0.0 109.257 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 73.3 mt -62.64 -37.47 86.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.166 -0.959 . . . . 0.0 108.801 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.74 84.65 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.346 -0.846 . . . . 0.0 109.169 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -81.84 -9.78 59.51 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.325 -0.859 . . . . 0.0 109.398 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 89.53 3.3 74.97 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -94.73 141.33 28.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.227 -1.16 . . . . 0.0 109.673 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 36.1 mm . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.413 -0.805 . . . . 0.0 109.372 179.695 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -59.22 -41.44 88.65 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.204 -0.935 . . . . 0.0 108.857 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -62.07 -40.55 96.18 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.278 -0.889 . . . . 0.0 109.166 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 43.7 tp -57.96 -39.64 78.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.337 -0.852 . . . . 0.0 109.435 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.74 98.66 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.926 . . . . 0.0 109.268 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -65.14 -35.62 81.69 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.248 -0.908 . . . . 0.0 109.232 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . 0.572 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 63.9 ttt-85 -62.4 -42.26 99.29 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.246 -0.909 . . . . 0.0 109.363 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.51 -44.19 96.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.276 -0.89 . . . . 0.0 109.478 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 33.5 mtm105 -60.12 -36.94 78.58 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.167 -0.958 . . . . 0.0 108.966 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.02 82.41 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 17.5 tp -59.97 -38.49 82.67 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.393 -0.817 . . . . 0.0 108.855 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 203' ' ' ARG . . . . . 0.515 ' NH1' ' OE2' ' A' ' 33' ' ' GLU . 56.9 mtm180 -87.52 -9.95 53.06 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.341 -0.849 . . . . 0.0 109.356 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 CA-C-O 118.004 -1.442 . . . . 0.0 109.499 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.508 ' N ' ' NH2' ' A' ' 41' ' ' ARG . 87.8 mtp . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.539 ' N ' ' OE2' ' A' ' 38' ' ' GLU . . . -59.18 -40.79 86.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.23 -0.919 . . . . 0.0 109.08 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -63.43 -38.3 90.62 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.163 -0.96 . . . . 0.0 108.973 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -57.08 -39.84 75.74 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.01 95.36 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.22 96.65 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.437 -0.789 . . . . 0.0 109.26 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.424 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.12 -41.64 93.05 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.248 -0.908 . . . . 0.0 108.641 179.621 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.3 t -60.84 -37.44 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.373 -0.83 . . . . 0.0 109.12 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.63 -37.99 77.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.2 98.07 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.3 p -69.98 -34.85 73.89 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.308 -0.87 . . . . 0.0 108.869 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.31 -45.8 80.13 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -64.61 -41.99 95.84 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.317 -0.864 . . . . 0.0 109.14 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -60.55 -42.61 96.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.317 -0.864 . . . . 0.0 109.907 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -61.66 -41.23 97.25 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.153 -0.967 . . . . 0.0 109.383 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.485 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 20.2 t70 -59.02 -38.11 78.5 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.15 -0.969 . . . . 0.0 108.908 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.9 -32.28 71.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.522 -0.736 . . . . 0.0 109.394 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -84.12 -9.06 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.383 -0.823 . . . . 0.0 109.492 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.31 13.59 61.5 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.8 mt -95.88 47.93 1.11 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.421 -1.047 . . . . 0.0 109.114 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.68 -30.46 51.59 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.3 mm -58.6 -51.06 76.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 O-C-N 121.185 -1.185 . . . . 0.0 109.593 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.448 HG23 HD12 ' A' ' 23' ' ' ILE . 19.1 mm -65.32 -42.27 93.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 121.128 -0.983 . . . . 0.0 108.875 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.91 -39.21 95.23 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.413 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 72.9 t80 -63.76 -47.41 81.1 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.961 -1.317 . . . . 0.0 110.573 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.67 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 72.1 t80 -60.34 -45.8 92.18 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.23 -0.919 . . . . 0.0 111.454 -178.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.54 -33.93 76.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.608 -1.308 . . . . 0.0 110.044 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.18 -40.31 89.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.65 -1.281 . . . . 0.0 108.208 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.413 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 87.5 mt -61.46 -38.81 88.57 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.663 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 86.4 t80 -66.23 -36.09 82.12 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.456 -0.778 . . . . 0.0 109.238 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.54 94.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.297 -0.877 . . . . 0.0 110.274 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.2 p -66.12 -42.8 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.812 -1.18 . . . . 0.0 109.168 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.67 -35.08 76.96 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.945 -1.097 . . . . 0.0 108.882 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.5 tp -64.03 -43.46 95.49 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.342 -0.848 . . . . 0.0 109.819 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.54 -48.2 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 O-C-N 121.153 -0.967 . . . . 0.0 110.05 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.2 mp -65.1 -36.5 84.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.32 -0.863 . . . . 0.0 109.266 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.6 p -77.33 -19.53 56.21 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.314 -0.866 . . . . 0.0 108.873 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.59 ' OE2' ' NE ' ' A' ' 41' ' ' ARG . 84.5 tt0 -67.7 149.39 50.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.702 -0.624 . . . . 0.0 109.934 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.61 150.02 20.21 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.398 -0.814 . . . . 0.0 109.373 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -58.78 131.16 50.11 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.283 -0.886 . . . . 0.0 110.007 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.59 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 75.1 mtt180 -123.05 170.42 10.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.68 -0.638 . . . . 0.0 109.484 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.0 p -57.77 171.3 0.5 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.231 -0.918 . . . . 0.0 109.678 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.12 -26.13 48.77 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.58 -0.7 . . . . 0.0 110.715 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -52.71 -40.88 63.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.775 -1.203 . . . . 0.0 109.402 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.0 ttp -64.31 -36.4 83.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.124 -0.985 . . . . 0.0 108.641 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.1 m -59.64 -40.43 87.62 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.462 -0.774 . . . . 0.0 108.961 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.55 98.84 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.171 -0.956 . . . . 0.0 108.727 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.0 -36.3 83.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.285 -0.884 . . . . 0.0 109.093 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.92 98.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.226 -0.921 . . . . 0.0 108.941 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.7 m -61.71 -41.89 98.21 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.364 -0.835 . . . . 0.0 109.148 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -61.41 -40.77 95.6 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.301 -0.874 . . . . 0.0 109.052 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.2 tp -59.64 -40.72 88.61 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.335 -0.853 . . . . 0.0 109.109 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.02 -40.32 88.89 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.335 -0.853 . . . . 0.0 108.705 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -59.89 -39.49 85.53 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.7 m -60.38 -41.58 94.05 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.633 -0.667 . . . . 0.0 109.62 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.1 mt -59.62 -55.09 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.187 -0.946 . . . . 0.0 109.247 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.575 ' OE2' ' NZ ' ' A' ' 61' ' ' LYS . 85.6 tt0 -62.61 -38.0 88.49 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.23 -31.4 69.95 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.428 -0.795 . . . . 0.0 108.91 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 55' ' ' THR . 84.8 t80 -59.23 -54.17 49.97 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.244 -0.91 . . . . 0.0 109.481 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -62.46 -43.27 99.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.126 -0.984 . . . . 0.0 109.654 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.575 ' NZ ' ' OE2' ' A' ' 57' ' ' GLU . 19.5 mttp -82.77 -2.98 55.94 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.259 -0.901 . . . . 0.0 110.103 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.5 tt0 -50.01 -33.94 19.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.195 -0.941 . . . . 0.0 109.997 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.2 mt -68.06 -41.09 84.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.131 -0.981 . . . . 0.0 109.744 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.86 -5.37 84.05 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.92 0.1 81.59 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -68.26 -46.9 69.15 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.115 -1.226 . . . . 0.0 109.41 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.8 t -64.6 -39.17 93.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.68 -0.638 . . . . 0.0 109.491 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 68' ' ' GLU . 47.0 mp0 -65.23 -28.55 69.44 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.452 -0.78 . . . . 0.0 109.934 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -39.22 -37.4 0.41 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.341 -0.849 . . . . 0.0 109.854 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -112.5 132.84 54.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.402 -0.811 . . . . 0.0 109.073 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 51.02 48.34 23.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.097 -1.002 . . . . 0.0 109.092 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.412 ' HG ' ' N ' ' A' ' 73' ' ' ASP . 58.2 p -57.59 -36.48 71.79 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.213 -0.929 . . . . 0.0 110.023 -179.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.412 ' N ' ' HG ' ' A' ' 72' ' ' SER . 91.0 m-20 -60.47 -42.38 96.09 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.958 -1.089 . . . . 0.0 109.65 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -70.77 -48.34 54.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.283 -0.886 . . . . 0.0 110.536 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.9 m -61.61 -44.13 97.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.053 -1.029 . . . . 0.0 110.114 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.71 -36.38 82.36 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.32 -0.862 . . . . 0.0 109.807 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.486 ' O ' ' OG1' ' A' ' 81' ' ' THR . 73.9 t60 -60.52 -45.49 93.65 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.342 -0.849 . . . . 0.0 110.007 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.55 -49.78 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.042 -1.036 . . . . 0.0 109.981 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 96.7 mmm -67.98 -46.32 71.68 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.283 -0.885 . . . . 0.0 110.212 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.597 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 55.1 t-20 -68.02 -43.87 77.8 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.141 -0.974 . . . . 0.0 111.097 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 37.5 m -68.13 -47.66 67.5 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.165 -0.96 . . . . 0.0 111.83 -178.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.7 mt -70.27 -34.09 72.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.804 -1.185 . . . . 0.0 111.047 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.9 mt -78.58 -34.25 17.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.051 -1.031 . . . . 0.0 110.951 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.597 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 78.8 m80 -91.72 -27.7 17.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.024 -1.048 . . . . 0.0 111.231 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -87.76 108.0 18.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.728 -1.233 . . . . 0.0 109.724 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.436 ' NE2' ' CD2' ' A' ' 134' ' ' LEU . 63.3 tt0 -62.19 -39.62 93.31 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.505 -0.747 . . . . 0.0 111.173 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.77 -44.43 96.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.962 -1.087 . . . . 0.0 110.181 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -63.88 -30.99 72.02 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.158 -0.964 . . . . 0.0 108.991 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.58 67.66 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.249 -0.907 . . . . 0.0 110.134 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -63.51 -48.51 77.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.909 -1.119 . . . . 0.0 110.495 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.432 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -63.96 -40.15 88.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.987 -1.071 . . . . 0.0 108.502 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.432 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 47.2 t80 -65.66 -48.36 72.38 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.67 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 71.1 mtm -68.74 -39.18 80.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.434 -0.791 . . . . 0.0 110.044 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.4 tp -60.43 -40.88 92.69 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.036 -1.04 . . . . 0.0 108.99 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -63.54 -44.17 95.0 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.32 -0.863 . . . . 0.0 109.171 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -64.09 -42.19 97.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.412 -0.805 . . . . 0.0 109.611 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.5 p -59.68 -43.89 93.84 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.165 -0.959 . . . . 0.0 109.801 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 96.2 mmm -63.76 -43.16 97.23 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.199 -0.938 . . . . 0.0 109.148 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.8 m -70.91 -38.21 72.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.533 -0.729 . . . . 0.0 109.795 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.434 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 28.7 tp -62.41 -42.6 99.56 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.257 -0.902 . . . . 0.0 110.152 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.667 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 88.3 t80 -67.9 -48.03 67.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.158 -0.964 . . . . 0.0 110.332 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -59.11 -45.08 91.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.105 -0.997 . . . . 0.0 109.478 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.18 -37.93 89.18 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.319 -0.863 . . . . 0.0 109.388 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -60.73 -45.02 95.85 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.272 -0.892 . . . . 0.0 109.66 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 77.3 mt -59.73 -41.8 91.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.197 -0.939 . . . . 0.0 109.271 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -61.58 -38.62 88.21 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.175 -0.953 . . . . 0.0 109.598 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.581 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.5 mm-40 -62.03 -39.77 93.45 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.163 -0.96 . . . . 0.0 109.904 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.7 mt -65.28 -39.07 92.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.029 -1.045 . . . . 0.0 109.207 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -78.37 -53.24 7.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.407 -0.808 . . . . 0.0 110.367 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -85.33 -23.01 28.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.373 -0.829 . . . . 0.0 110.457 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -110.52 155.69 15.97 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.099 -1.201 . . . . 0.0 110.099 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.61 150.58 83.78 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.803 2.335 . . . . 0.0 111.844 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -91.52 123.84 35.24 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.268 -0.895 . . . . 0.0 109.644 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -134.35 166.11 23.59 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.259 -0.901 . . . . 0.0 109.334 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.93 -32.02 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 121.194 -0.941 . . . . 0.0 109.417 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.7 mtm -59.62 -40.31 87.14 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.457 -0.777 . . . . 0.0 109.633 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.87 -38.18 90.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.281 -0.887 . . . . 0.0 109.33 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -60.95 -41.27 95.97 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.193 -0.942 . . . . 0.0 109.117 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -62.27 -40.41 96.13 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.345 -0.847 . . . . 0.0 109.462 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.407 ' O ' ' SG ' ' A' ' 124' ' ' CYS . 11.8 t -61.99 -41.43 98.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.255 -0.903 . . . . 0.0 109.691 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 17.2 tp -62.25 -43.16 99.46 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.238 -0.913 . . . . 0.0 109.293 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -57.09 -40.05 76.21 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.992 -1.068 . . . . 0.0 108.625 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.0 m -68.16 -42.39 80.14 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.324 -0.86 . . . . 0.0 108.887 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.434 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 53.5 m -60.11 -46.53 89.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.242 -0.911 . . . . 0.0 109.67 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.23 -37.51 73.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.121 -0.987 . . . . 0.0 108.56 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.77 -39.25 91.0 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.36 -0.837 . . . . 0.0 109.256 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.56 -44.82 93.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.211 -0.931 . . . . 0.0 109.288 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -68.66 -43.32 76.44 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.33 -0.856 . . . . 0.0 109.694 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.6 m -64.22 -39.58 94.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.32 -0.862 . . . . 0.0 110.477 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.663 ' SG ' ' CD1' ' A' ' 30' ' ' TYR . 71.6 m -67.46 -49.96 61.27 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.015 -1.053 . . . . 0.0 110.018 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 79.1 mt -65.05 -46.15 92.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.153 -0.967 . . . . 0.0 109.366 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.587 ' O ' ' N ' ' A' ' 136' ' ' LYS . 40.7 tp -63.1 -39.16 93.88 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.46 -0.775 . . . . 0.0 109.693 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -58.41 -49.42 77.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.238 -0.914 . . . . 0.0 110.055 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.436 ' CD2' ' NE2' ' A' ' 86' ' ' GLN . 38.4 tp -64.59 -43.16 94.71 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.09 -1.007 . . . . 0.0 109.693 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -87.12 -1.2 57.71 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.374 -0.829 . . . . 0.0 110.297 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.3 OUTLIER -52.96 -35.52 58.99 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.151 -0.968 . . . . 0.0 109.861 -179.418 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -62.28 -26.25 68.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.245 -0.91 . . . . 0.0 109.185 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -89.55 -2.26 58.28 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.359 -0.838 . . . . 0.0 109.873 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.4 mm -104.61 141.55 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.166 -0.959 . . . . 0.0 109.532 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.0 m -77.51 155.19 31.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.0 108.822 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -55.61 -43.5 76.13 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.068 -1.02 . . . . 0.0 109.538 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 31.2 m -70.65 -42.79 70.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.923 -1.111 . . . . 0.0 108.88 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' SER . . . . . 0.442 ' O ' ' OG ' ' A' ' 146' ' ' SER . 25.7 t -58.97 -40.24 84.18 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 145' ' ' ASN . 0.4 OUTLIER -60.99 -38.93 87.76 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.86 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . 0.403 ' N ' HG22 ' A' ' 144' ' ' THR . 18.8 t-20 -57.6 -41.1 80.53 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.48 -0.763 . . . . 0.0 109.386 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.516 ' HG ' ' H ' ' A' ' 147' ' ' LEU . 93.5 p -64.18 -46.09 85.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.254 -0.904 . . . . 0.0 109.765 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.516 ' H ' ' HG ' ' A' ' 146' ' ' SER . 10.3 mp -69.05 -43.35 74.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.088 -1.007 . . . . 0.0 108.977 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.603 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -63.4 -35.58 80.88 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.196 -0.94 . . . . 0.0 108.564 179.173 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.58 -42.33 96.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.411 -0.806 . . . . 0.0 109.02 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -60.36 -42.21 95.31 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.88 -38.55 80.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.02 -42.18 79.92 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -59.14 -40.44 85.52 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . 0.667 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 64.3 m -60.33 -50.55 73.18 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 119.659 -0.816 . . . . 0.0 108.819 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -61.8 -36.86 82.33 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.26 -0.9 . . . . 0.0 109.198 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 46.4 mt -58.34 -47.91 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 O-C-N 121.263 -0.898 . . . . 0.0 109.814 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.65 -38.15 90.02 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 46.8 tp -59.45 -46.55 88.43 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.632 -0.667 . . . . 0.0 109.38 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.1 m -64.16 -35.67 81.55 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.255 -0.903 . . . . 0.0 108.576 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.45 ' HZ2' ' C ' ' A' ' 166' ' ' ILE . 16.6 tttm -60.61 -41.74 95.41 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.6 -35.54 81.33 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.86 71.61 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.464 -0.772 . . . . 0.0 109.036 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -80.99 -10.65 59.68 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.307 -0.87 . . . . 0.0 109.331 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 90.73 1.54 73.67 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -94.8 139.81 30.77 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.142 -1.211 . . . . 0.0 109.73 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.45 ' C ' ' HZ2' ' A' ' 160' ' ' LYS . 4.4 tp . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.823 . . . . 0.0 109.523 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.63 -40.34 94.51 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.311 -0.868 . . . . 0.0 109.017 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -60.9 -41.78 96.77 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.36 -0.838 . . . . 0.0 109.363 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.38 -41.76 90.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.263 -0.898 . . . . 0.0 109.171 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.56 95.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.329 -0.857 . . . . 0.0 109.216 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.29 -35.53 81.29 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.276 -0.89 . . . . 0.0 109.248 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -60.75 -43.38 98.02 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.189 -0.945 . . . . 0.0 109.194 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 1.4 tp -63.26 -41.97 99.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.255 -0.903 . . . . 0.0 109.385 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -59.15 -39.01 81.08 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.256 -0.902 . . . . 0.0 109.188 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.8 -35.52 80.25 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.256 -0.903 . . . . 0.0 108.848 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 15.7 tp -60.13 -39.88 87.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.465 -0.772 . . . . 0.0 109.192 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -102.12 4.67 39.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.342 -0.849 . . . . 0.0 109.566 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 CA-C-O 117.955 -1.469 . . . . 0.0 109.543 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tpp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.576 ' N ' ' OE2' ' A' ' 38' ' ' GLU . . . -58.95 -40.08 83.61 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.165 -0.959 . . . . 0.0 109.142 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -63.67 -38.72 92.16 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.245 -0.91 . . . . 0.0 109.191 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -57.46 -41.59 80.86 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.128 -0.983 . . . . 0.0 108.596 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.86 93.13 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.42 97.1 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.393 -0.817 . . . . 0.0 109.681 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.446 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.52 -42.3 96.16 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.181 -0.95 . . . . 0.0 109.14 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.11 -37.99 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.257 -0.902 . . . . 0.0 109.797 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.64 -39.25 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.138 -0.976 . . . . 0.0 108.789 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.91 91.85 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.36 -0.838 . . . . 0.0 108.943 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.28 -32.93 70.95 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -44.95 92.37 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.191 -0.943 . . . . 0.0 108.698 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.05 -41.81 99.58 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.262 -0.899 . . . . 0.0 108.631 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -60.68 -40.25 91.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.411 -0.806 . . . . 0.0 109.215 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -61.55 -42.51 98.94 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.413 -0.805 . . . . 0.0 109.251 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.403 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 21.8 t70 -58.9 -38.8 79.71 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 0.0 108.823 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -60.0 -30.05 68.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.379 -0.825 . . . . 0.0 109.232 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.1 t -84.06 -3.51 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.426 -0.796 . . . . 0.0 109.797 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.43 11.82 63.8 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.1 mt -95.57 36.63 1.25 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.412 -1.052 . . . . 0.0 108.947 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.65 -32.78 25.29 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.2 mm -58.69 -48.01 87.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.069 -1.254 . . . . 0.0 109.335 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.47 HD12 HG21 ' A' ' 23' ' ' ILE . 23.5 mm -64.87 -44.19 96.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.211 -0.93 . . . . 0.0 109.105 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.9 -40.55 95.42 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.432 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 66.0 t80 -62.59 -48.36 79.79 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.23 -1.159 . . . . 0.0 110.943 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 71.2 t80 -66.32 -47.12 74.56 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.017 -1.052 . . . . 0.0 110.818 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.463 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 1.7 pp -68.83 -35.65 77.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.021 -1.049 . . . . 0.0 110.095 -179.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -60.46 -42.37 96.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.81 -1.181 . . . . 0.0 108.467 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 76.7 mt -59.76 -42.21 92.73 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.665 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 73.3 t80 -63.59 -36.17 82.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.325 -0.86 . . . . 0.0 108.998 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.07 83.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.347 -0.845 . . . . 0.0 109.504 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.51 -39.05 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.94 -1.1 . . . . 0.0 108.657 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.68 -35.5 78.18 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.797 -1.189 . . . . 0.0 108.302 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.4 tp -63.43 -41.47 98.68 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.567 -0.708 . . . . 0.0 109.318 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.19 -48.15 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 O-C-N 121.205 -0.934 . . . . 0.0 110.074 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.5 mp -64.35 -36.69 84.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 109.409 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.7 p -74.79 -21.74 59.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.24 -0.913 . . . . 0.0 108.574 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.576 ' OE2' ' N ' ' A' ' 2' ' ' ALA . 82.3 tt0 -73.02 150.81 42.09 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.335 0.588 . . . . 0.0 109.679 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.35 150.22 15.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.252 -0.905 . . . . 0.0 109.69 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -58.49 137.08 57.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.459 -0.776 . . . . 0.0 110.305 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.555 ' HE ' ' CD ' ' A' ' 38' ' ' GLU . 95.2 mtt-85 -121.93 170.37 9.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.701 -0.624 . . . . 0.0 109.48 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.7 t -57.35 170.99 0.45 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.245 -0.909 . . . . 0.0 110.319 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.61 -28.77 61.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.571 -0.706 . . . . 0.0 110.85 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -51.3 -38.9 55.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.83 -1.169 . . . . 0.0 109.149 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.577 ' O ' ' SD ' ' A' ' 45' ' ' MET . 5.3 tmm? -64.44 -37.69 88.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.233 -0.917 . . . . 0.0 108.839 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.1 m -59.39 -40.81 87.74 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.36 -0.838 . . . . 0.0 109.435 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.44 96.46 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.246 -0.909 . . . . 0.0 108.973 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.28 -37.32 86.77 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.312 -0.867 . . . . 0.0 109.32 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.02 93.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.274 -0.891 . . . . 0.0 108.864 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.2 m -62.01 -41.06 97.67 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.333 -0.854 . . . . 0.0 109.264 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.59 -42.48 98.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.227 -0.921 . . . . 0.0 109.529 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.4 mt -61.52 -39.34 90.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.948 . . . . 0.0 109.149 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.6 tp -60.11 -40.15 88.69 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.258 -0.901 . . . . 0.0 108.809 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -60.22 -39.9 88.26 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.1 m -60.28 -41.49 93.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.62 -0.675 . . . . 0.0 109.536 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.9 mt -58.24 -51.16 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.164 -0.96 . . . . 0.0 108.848 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.45 -36.14 79.56 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.576 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -63.97 -33.89 76.75 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -59.4 -54.38 47.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.384 -0.822 . . . . 0.0 108.806 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -62.67 -40.17 96.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.252 -0.905 . . . . 0.0 108.939 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -82.15 -0.94 47.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.447 -0.783 . . . . 0.0 109.602 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.9 tt0 -47.65 -33.07 6.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.336 -0.853 . . . . 0.0 110.31 -179.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.589 ' CD1' ' SD ' ' A' ' 79' ' ' MET . 82.5 mt -67.49 -37.94 79.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.013 -1.054 . . . . 0.0 109.556 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.74 -5.25 12.39 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 93.67 -6.59 74.1 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.52 -46.5 82.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.138 -1.213 . . . . 0.0 109.596 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.448 ' O ' ' O ' ' A' ' 70' ' ' GLU . 8.3 t -65.43 -31.39 72.46 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.911 . . . . 0.0 108.982 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.16 -28.27 67.78 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.473 -0.767 . . . . 0.0 109.551 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.36 92.68 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.997 -1.064 . . . . 0.0 109.931 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.5 mt-10 -135.83 146.26 47.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.23 -0.919 . . . . 0.0 110.018 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 49.16 40.91 18.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.403 -0.811 . . . . 0.0 109.348 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.7 p -65.01 -36.61 84.97 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.25 -0.906 . . . . 0.0 110.036 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.51 -42.09 95.67 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.147 -0.971 . . . . 0.0 109.816 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -66.85 -47.61 71.43 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.23 -0.919 . . . . 0.0 110.615 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.6 p -66.35 -40.89 90.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.034 -1.041 . . . . 0.0 109.973 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.0 mt -68.35 -39.88 81.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.37 -0.831 . . . . 0.0 110.206 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.489 ' O ' ' OG1' ' A' ' 81' ' ' THR . 32.6 t-80 -61.87 -45.52 93.41 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.188 -0.945 . . . . 0.0 110.504 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.47 -49.57 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.937 -1.102 . . . . 0.0 110.494 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.589 ' SD ' ' CD1' ' A' ' 63' ' ' ILE . 88.9 mtp -67.92 -46.74 70.69 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.209 -0.932 . . . . 0.0 110.876 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.433 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 20.2 m120 -69.04 -40.44 78.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.865 -1.147 . . . . 0.0 110.971 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.489 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 89.5 m -67.17 -49.64 63.98 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.947 -1.095 . . . . 0.0 111.768 -178.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.1 mt -74.56 -33.96 62.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.786 -1.197 . . . . 0.0 111.48 -178.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 91.4 mt -76.38 -38.03 32.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 120.882 -1.136 . . . . 0.0 111.106 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 79.5 m80 -82.28 -37.48 25.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.017 -1.052 . . . . 0.0 111.184 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.538 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 88.1 m-20 -84.96 108.05 17.39 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.845 -1.159 . . . . 0.0 110.077 -179.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -62.53 -38.77 91.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.468 -0.77 . . . . 0.0 110.348 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.98 -44.48 95.93 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.066 -1.021 . . . . 0.0 110.183 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.538 ' NZ ' ' OD2' ' A' ' 85' ' ' ASP . 49.5 mttp -62.22 -30.97 71.46 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.145 -0.972 . . . . 0.0 108.651 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.29 -43.83 80.75 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.277 -0.89 . . . . 0.0 110.05 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.8 tttt -64.35 -48.45 75.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.048 -1.033 . . . . 0.0 111.36 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.614 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -64.06 -38.66 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 120.676 -1.265 . . . . 0.0 109.14 -178.596 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.614 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 56.8 t80 -63.27 -44.03 96.26 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.955 -1.09 . . . . 0.0 108.114 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 72.5 mtm -70.45 -40.95 73.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.564 -0.71 . . . . 0.0 109.698 179.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.09 -40.89 95.42 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.046 -1.034 . . . . 0.0 108.862 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -62.26 -41.57 98.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.419 -0.801 . . . . 0.0 109.043 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.67 -46.95 85.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.462 -0.774 . . . . 0.0 109.57 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 34.5 p -62.35 -42.57 99.5 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.154 -0.966 . . . . 0.0 109.598 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.4 ' HE2' HH22 ' A' ' 150' ' ' ARG . 51.6 ttm -63.23 -43.77 97.11 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.283 -0.886 . . . . 0.0 109.437 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.421 ' HG ' ' N ' ' A' ' 100' ' ' LEU . 84.6 p -75.07 -35.87 61.82 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.245 -0.91 . . . . 0.0 109.742 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.421 ' N ' ' HG ' ' A' ' 99' ' ' SER . 33.7 tp -67.84 -44.99 75.91 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.227 -0.921 . . . . 0.0 109.881 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.664 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 71.2 t80 -68.42 -46.17 70.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.345 -0.847 . . . . 0.0 109.979 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -60.66 -46.29 90.89 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.261 -0.9 . . . . 0.0 109.807 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.26 -45.43 84.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.182 -0.949 . . . . 0.0 108.959 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.456 ' NZ ' ' SG ' ' A' ' 124' ' ' CYS . 6.8 ttpm? -62.61 -37.76 87.54 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.395 -0.815 . . . . 0.0 108.838 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.0 tp -56.27 -47.29 78.88 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.506 -0.747 . . . . 0.0 109.029 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -60.7 -38.15 84.04 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 121.189 -0.944 . . . . 0.0 109.164 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.592 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.7 mm-40 -59.65 -38.9 82.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.379 -0.825 . . . . 0.0 109.273 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 63.2 mt -65.14 -37.67 88.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.93 -1.106 . . . . 0.0 109.062 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -77.25 -53.01 8.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.436 -0.79 . . . . 0.0 110.932 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -95.38 -22.66 17.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.193 -0.942 . . . . 0.0 110.71 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -93.4 155.65 22.32 Favored Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.651 -1.261 . . . . 0.0 109.964 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -66.1 153.68 77.12 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.715 2.276 . . . . 0.0 111.749 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.407 ' O ' ' OD1' ' A' ' 114' ' ' ASP . 13.6 m-90 -94.26 124.58 38.36 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.19 -0.944 . . . . 0.0 109.735 -179.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 86.9 m-20 -134.6 165.67 24.68 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.281 -0.887 . . . . 0.0 109.38 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.8 m -64.02 -31.94 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.242 -0.911 . . . . 0.0 109.253 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.9 mtm -59.34 -38.97 81.71 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.367 -0.833 . . . . 0.0 109.379 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.55 -37.91 89.13 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.264 -0.898 . . . . 0.0 109.164 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -60.42 -41.83 94.78 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.235 -0.916 . . . . 0.0 108.913 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -62.19 -40.04 94.72 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.435 -0.79 . . . . 0.0 109.397 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.6 m -63.03 -38.88 92.96 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.369 -0.832 . . . . 0.0 109.591 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 16.3 mt -62.85 -41.6 99.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.308 -0.87 . . . . 0.0 109.64 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -63.92 -41.08 97.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.167 -0.958 . . . . 0.0 109.624 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.71 -41.36 92.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.276 -0.89 . . . . 0.0 109.928 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.456 ' SG ' ' NZ ' ' A' ' 104' ' ' LYS . 78.8 m -58.82 -48.09 82.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.101 -0.999 . . . . 0.0 109.635 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.49 -37.24 74.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.177 -0.952 . . . . 0.0 109.097 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.459 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 91.1 m-20 -58.78 -39.4 80.94 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.23 -0.919 . . . . 0.0 108.847 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.45 -41.27 98.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.38 -0.825 . . . . 0.0 109.061 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.43 ' O ' ' CB ' ' A' ' 132' ' ' LEU . 28.5 m-85 -66.25 -42.75 88.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.319 -0.863 . . . . 0.0 110.03 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.2 p -66.81 -39.22 87.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.229 -0.92 . . . . 0.0 110.238 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.665 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 55.9 m -69.03 -50.08 51.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.056 -1.028 . . . . 0.0 109.992 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 73.4 mt -69.72 -46.5 74.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 O-C-N 121.356 -0.84 . . . . 0.0 109.923 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.43 ' CB ' ' O ' ' A' ' 128' ' ' PHE . 28.6 tp -61.07 -41.8 97.31 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.268 -0.895 . . . . 0.0 110.217 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -64.97 -49.75 69.09 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.174 -0.954 . . . . 0.0 111.203 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 36.7 tp -65.52 -46.03 81.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.026 -1.046 . . . . 0.0 110.904 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 -87.37 4.62 42.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.155 -0.965 . . . . 0.0 110.897 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -43.15 60.8 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.028 -1.045 . . . . 0.0 109.574 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.95 -20.31 64.2 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.326 -0.859 . . . . 0.0 109.554 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -89.0 -6.42 57.24 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.233 -0.917 . . . . 0.0 110.205 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.9 mt -112.02 147.67 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.376 -0.827 . . . . 0.0 109.664 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.4 m -76.53 155.19 33.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.367 -0.833 . . . . 0.0 109.543 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -56.86 -37.1 70.85 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.402 -0.811 . . . . 0.0 109.979 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 36.3 m -74.17 -45.53 47.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.693 -1.254 . . . . 0.0 109.498 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 36.7 t -64.08 -44.98 90.72 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.165 -0.96 . . . . 0.0 109.788 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.566 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 1.2 t -63.6 -38.93 92.98 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.044 -1.035 . . . . 0.0 108.56 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . 0.424 ' N ' ' CG2' ' A' ' 144' ' ' THR . 1.6 t30 -55.55 -41.69 73.61 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.257 -0.902 . . . . 0.0 108.66 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.8 m -61.99 -42.28 98.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.411 -0.806 . . . . 0.0 108.896 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 53.4 mt -61.45 -38.86 88.73 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.62 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -61.21 -35.86 78.33 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.134 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.43 ' CB ' ' HZ3' ' A' ' 149' ' ' LYS . 8.0 ttpm? -61.54 -43.65 98.47 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.384 -0.822 . . . . 0.0 109.2 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.4 HH22 ' HE2' ' A' ' 98' ' ' MET . 35.8 mtp180 -60.13 -40.0 88.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.264 -0.897 . . . . 0.0 108.691 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.49 -39.57 83.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -58.7 -38.99 79.47 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.307 -0.871 . . . . 0.0 108.821 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -61.1 -42.4 98.44 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . 0.664 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 74.4 m -65.95 -50.62 63.71 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.32 -0.862 . . . . 0.0 109.074 179.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -63.51 -39.67 95.04 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.281 -0.887 . . . . 0.0 109.167 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 26.9 mt -59.93 -47.94 89.69 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.294 -0.878 . . . . 0.0 109.676 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -63.52 -37.78 88.61 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 27.5 tp -58.79 -40.22 83.39 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.0 t -62.44 -36.34 82.11 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.364 -0.835 . . . . 0.0 108.992 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -60.93 -41.97 97.26 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.379 -0.826 . . . . 0.0 109.084 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.84 -35.25 80.13 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.936 . . . . 0.0 109.339 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.47 85.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.892 . . . . 0.0 109.754 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -81.69 -12.06 58.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.35 -4.52 80.4 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -95.31 142.96 27.1 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.283 -1.128 . . . . 0.0 109.232 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 10.3 tp . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.355 -0.84 . . . . 0.0 109.557 179.875 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 N--CA 1.486 1.361 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.69 -41.33 97.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.356 -0.84 . . . . 0.0 109.209 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -61.69 -42.47 98.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.232 -0.917 . . . . 0.0 109.426 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 37.6 tp -62.82 -40.87 98.72 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.197 -0.939 . . . . 0.0 109.366 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.9 97.6 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.252 -0.905 . . . . 0.0 109.209 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.08 -35.18 80.33 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.24 -0.913 . . . . 0.0 109.162 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -60.21 -43.75 95.7 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.292 -0.88 . . . . 0.0 109.325 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 3.5 tp -63.81 -43.04 97.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.915 . . . . 0.0 109.345 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -58.52 -37.83 76.47 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.321 -0.862 . . . . 0.0 109.018 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.81 81.48 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.59 -39.72 85.1 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.55 -0.719 . . . . 0.0 109.076 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -87.71 -10.04 52.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.341 -0.849 . . . . 0.0 109.262 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.827 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.491 ' H3 ' ' ND2' ' A' ' 4' ' ' ASN . 88.1 mtp . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.331 0.586 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.84 87.99 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.157 -0.965 . . . . 0.0 109.218 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -63.54 -38.52 91.45 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.165 -0.959 . . . . 0.0 108.99 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.491 ' ND2' ' H3 ' ' A' ' 1' ' ' MET . 86.3 m-20 -57.34 -39.49 76.0 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.88 94.93 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.32 94.87 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.37 -0.831 . . . . 0.0 109.208 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -42.0 94.61 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -60.53 -38.51 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.26 -0.9 . . . . 0.0 109.336 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.98 -37.97 78.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.25 -0.906 . . . . 0.0 108.775 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.85 97.74 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.402 -0.919 . . . . 0.0 108.64 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 p -72.15 -32.99 67.4 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.409 -0.807 . . . . 0.0 109.032 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.83 86.27 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.379 -0.826 . . . . 0.0 109.119 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -64.39 -46.05 85.0 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.352 -0.842 . . . . 0.0 109.079 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -61.84 -39.15 90.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.257 -0.902 . . . . 0.0 109.245 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.55 -43.47 97.18 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.31 -0.869 . . . . 0.0 109.156 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.49 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 55.5 t0 -60.03 -38.06 81.6 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.263 -0.898 . . . . 0.0 109.053 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -59.25 -30.33 68.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.369 -0.832 . . . . 0.0 109.166 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.7 t -83.83 -8.84 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.36 -0.837 . . . . 0.0 109.424 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.39 17.02 56.28 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.7 mt -95.75 47.74 1.12 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.367 -1.078 . . . . 0.0 109.243 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.32 -34.23 53.8 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.789 -1.325 . . . . 0.0 109.789 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.6 mm -60.27 -51.22 75.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.144 -1.209 . . . . 0.0 109.421 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.475 HG23 HD11 ' A' ' 23' ' ' ILE . 20.1 mm -64.55 -42.04 94.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.296 -0.877 . . . . 0.0 109.15 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.98 -39.56 94.35 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -63.22 -47.64 81.66 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.161 -1.199 . . . . 0.0 110.394 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.675 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 69.2 t80 -60.28 -46.48 89.69 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.235 -0.916 . . . . 0.0 111.298 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.43 -33.24 75.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.557 -1.34 . . . . 0.0 109.745 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -60.0 -39.63 86.41 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.617 -1.302 . . . . 0.0 107.834 178.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.34 -38.04 85.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -65.85 -37.45 86.23 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.408 -0.807 . . . . 0.0 109.495 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.52 93.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.336 -0.853 . . . . 0.0 110.383 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.24 -42.86 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.836 -1.165 . . . . 0.0 109.237 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.66 -35.35 77.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.907 -1.12 . . . . 0.0 109.009 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.9 tp -64.44 -42.45 95.99 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.353 -0.842 . . . . 0.0 109.954 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.435 HD13 HG21 ' A' ' 35' ' ' ILE . 92.9 mt -62.4 -48.03 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.119 -0.988 . . . . 0.0 110.115 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -62.67 -36.06 81.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.313 -0.867 . . . . 0.0 109.246 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.3 m -83.91 0.03 49.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.257 -0.902 . . . . 0.0 108.973 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -89.82 150.01 22.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.481 -0.762 . . . . 0.0 109.909 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.07 151.15 15.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.409 -0.807 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -57.9 130.64 47.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 0.0 109.707 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 57.5 ttt-85 -117.41 169.71 9.3 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.7 p -57.77 166.5 1.39 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.124 -0.985 . . . . 0.0 110.417 -178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.76 -32.03 65.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.668 -0.645 . . . . 0.0 110.652 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.06 -37.11 31.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.832 -1.167 . . . . 0.0 108.346 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.563 ' O ' ' SD ' ' A' ' 45' ' ' MET . 4.8 tmm? -63.28 -38.15 90.03 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.428 -0.795 . . . . 0.0 108.919 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.7 m -59.69 -40.49 88.03 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.494 -0.753 . . . . 0.0 109.146 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.85 97.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.236 -0.915 . . . . 0.0 108.904 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.72 -37.45 87.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.868 . . . . 0.0 109.239 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.78 97.36 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.238 -0.914 . . . . 0.0 108.791 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.2 m -60.7 -39.86 90.12 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.308 -0.87 . . . . 0.0 109.085 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.51 -40.94 96.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.352 -0.842 . . . . 0.0 109.455 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.75 -42.27 97.07 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.148 -0.97 . . . . 0.0 109.518 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.76 -40.47 92.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.019 -1.05 . . . . 0.0 108.68 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -61.61 -37.84 85.42 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 59' ' ' PHE . 48.5 m -59.88 -41.29 91.25 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.672 -0.643 . . . . 0.0 109.667 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 81.6 mt -57.55 -53.98 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.045 -1.035 . . . . 0.0 108.797 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -62.39 -36.95 83.91 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.601 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.99 -32.3 72.61 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 55' ' ' THR . 78.7 t80 -59.43 -54.09 50.67 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.336 -0.853 . . . . 0.0 109.344 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -62.45 -44.0 97.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.957 . . . . 0.0 109.603 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -83.2 -2.23 55.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.32 -0.862 . . . . 0.0 110.345 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.601 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.41 -34.94 17.68 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 110.046 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.419 ' CD1' ' SD ' ' A' ' 79' ' ' MET . 86.1 mt -68.65 -41.26 82.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.137 -0.977 . . . . 0.0 109.854 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.51 -5.33 81.65 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.99 -0.82 84.52 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -66.73 -46.83 74.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.066 -1.255 . . . . 0.0 108.788 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 t -67.7 -31.41 71.36 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.525 0.679 . . . . 0.0 109.338 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' ALA . 79.0 mm-40 -60.98 -30.04 70.04 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.55 -0.719 . . . . 0.0 109.792 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -40.96 -36.99 0.73 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.232 -0.918 . . . . 0.0 110.375 -179.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -113.07 134.06 54.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.213 -0.929 . . . . 0.0 109.777 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 49.78 48.37 21.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.283 -0.886 . . . . 0.0 109.242 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.5 p -59.74 -36.88 77.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.225 -0.922 . . . . 0.0 110.446 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.6 ' O ' ' CD2' ' A' ' 77' ' ' HIS . 90.2 m-20 -62.6 -45.44 92.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.069 -1.019 . . . . 0.0 110.453 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -64.34 -41.49 96.75 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.118 -0.989 . . . . 0.0 110.641 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.5 m -62.52 -45.01 94.94 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.015 -1.053 . . . . 0.0 110.101 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 89.2 mt -67.22 -37.57 83.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.185 -0.947 . . . . 0.0 109.916 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 56.8 m-70 -60.1 -45.4 93.07 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.173 -0.954 . . . . 0.0 110.372 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.4 t -69.04 -50.37 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.945 -1.097 . . . . 0.0 110.196 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.419 ' SD ' ' CD1' ' A' ' 63' ' ' ILE . 70.1 mtm -68.51 -46.51 69.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.121 -0.987 . . . . 0.0 110.473 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.584 ' OD1' ' CE1' ' A' ' 84' ' ' HIS . 36.1 t30 -66.53 -43.48 85.08 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.077 -1.014 . . . . 0.0 110.899 -178.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 39.1 m -68.57 -49.05 62.41 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.126 -0.984 . . . . 0.0 111.797 -178.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.8 mt -72.12 -34.14 68.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.795 -1.191 . . . . 0.0 111.279 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 86.8 mt -79.13 -34.57 16.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.02 -1.05 . . . . 0.0 111.188 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.584 ' CE1' ' OD1' ' A' ' 80' ' ' ASN . 78.6 m80 -92.34 -26.65 17.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 0.0 111.269 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.569 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 54.2 t0 -87.84 105.94 17.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.676 -1.265 . . . . 0.0 109.994 -179.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -62.33 -37.31 85.15 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.385 -0.822 . . . . 0.0 110.446 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.97 -45.35 92.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 0.0 109.829 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.569 ' NZ ' ' OD2' ' A' ' 85' ' ' ASP . 33.2 mttp -64.89 -34.53 78.6 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.261 -0.899 . . . . 0.0 109.043 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.29 -42.06 72.55 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.132 -0.98 . . . . 0.0 109.312 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -48.4 81.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.126 -0.984 . . . . 0.0 109.768 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.463 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -72.77 -43.05 61.46 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.326 -0.859 . . . . 0.0 109.324 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 58.7 t80 -63.41 -48.69 76.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.197 -0.939 . . . . 0.0 109.059 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.675 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 65.0 mtm -65.72 -37.64 86.98 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 0.0 109.686 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.0 tp -61.21 -41.27 96.55 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.08 -1.012 . . . . 0.0 108.952 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -61.9 -42.54 99.19 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.31 -0.869 . . . . 0.0 109.387 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -64.45 -49.0 73.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 0.0 109.763 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 35.4 p -62.69 -43.52 98.59 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.132 -0.98 . . . . 0.0 109.924 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 94.0 mmm -65.27 -42.07 93.56 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.137 -0.977 . . . . 0.0 109.407 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.8 p -72.58 -36.38 68.16 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.262 -0.899 . . . . 0.0 109.514 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.6 tp -66.51 -42.09 87.88 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.285 -0.884 . . . . 0.0 109.667 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.665 ' CZ ' ' SG ' ' A' ' 154' ' ' CYS . 75.8 t80 -64.66 -43.93 92.03 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.396 -0.815 . . . . 0.0 109.975 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -58.95 -46.18 88.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.234 -0.916 . . . . 0.0 109.951 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.17 -45.98 82.68 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.162 -0.961 . . . . 0.0 109.488 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -65.02 -36.14 83.44 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.316 -0.865 . . . . 0.0 109.174 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.4 tp -55.42 -48.59 74.18 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.307 -0.871 . . . . 0.0 108.886 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -60.85 -38.04 84.17 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.256 -0.902 . . . . 0.0 108.958 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.59 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.0 mt-30 -60.68 -39.37 88.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.375 -0.828 . . . . 0.0 109.503 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.0 mt -64.81 -37.81 88.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.921 -1.112 . . . . 0.0 109.267 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -77.96 -53.73 7.11 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.308 -0.87 . . . . 0.0 110.808 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -99.0 -22.97 15.47 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.27 -0.894 . . . . 0.0 110.894 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -90.26 148.99 19.98 Favored Glycine 0 N--CA 1.492 2.415 0 C-N-CA 119.52 -1.324 . . . . 0.0 110.166 -178.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -72.34 154.35 56.13 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.653 2.235 . . . . 0.0 112.147 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -86.61 123.73 32.12 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.205 -0.935 . . . . 0.0 109.377 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -131.49 163.04 28.85 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.345 -0.847 . . . . 0.0 109.012 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.408 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -62.15 -32.75 55.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.183 -0.948 . . . . 0.0 109.112 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.408 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.6 mtm -60.52 -43.4 97.15 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.442 -0.786 . . . . 0.0 109.712 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 72.4 mt -67.69 -37.54 82.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.355 -0.841 . . . . 0.0 109.581 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.411 ' O ' ' CE3' ' A' ' 122' ' ' TRP . 58.2 mttp -60.11 -42.77 95.43 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.262 -0.899 . . . . 0.0 110.037 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -67.4 -45.73 75.32 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.882 -1.136 . . . . 0.0 110.155 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.56 ' O ' ' SG ' ' A' ' 124' ' ' CYS . 84.1 p -71.99 -42.1 66.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.185 -0.947 . . . . 0.0 110.243 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.16 -39.06 89.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.118 -0.989 . . . . 0.0 109.439 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . 0.411 ' CE3' ' O ' ' A' ' 118' ' ' LYS . 0.9 OUTLIER -59.73 -44.89 93.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.022 -1.049 . . . . 0.0 108.325 179.334 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 78.7 m -65.28 -33.66 76.51 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.407 -0.808 . . . . 0.0 109.282 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.56 ' SG ' ' O ' ' A' ' 120' ' ' SER . 74.4 m -57.92 -50.17 74.25 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.289 -0.882 . . . . 0.0 109.69 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 72.7 mt -62.02 -44.13 98.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 O-C-N 121.117 -0.989 . . . . 0.0 109.354 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.54 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 89.3 m-20 -63.97 -39.56 94.4 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.305 -0.872 . . . . 0.0 109.896 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 39.5 tp -62.61 -45.56 92.29 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 109.834 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -66.6 -42.83 86.28 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.306 -0.871 . . . . 0.0 109.47 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.1 p -63.75 -34.12 77.18 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.886 . . . . 0.0 109.559 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.54 ' SG ' ' O ' ' A' ' 126' ' ' ASP . 73.1 m -65.11 -43.94 90.39 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.232 -0.918 . . . . 0.0 109.027 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 95.7 mt -58.52 -44.15 88.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 O-C-N 121.373 -0.829 . . . . 0.0 109.664 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.591 ' O ' ' N ' ' A' ' 136' ' ' LYS . 53.2 mt -62.79 -39.07 93.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.261 -0.899 . . . . 0.0 109.729 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -57.82 -49.34 76.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.314 -0.866 . . . . 0.0 110.411 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 41.1 tp -64.3 -45.74 86.63 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.99 -1.069 . . . . 0.0 110.025 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -87.98 -0.65 57.28 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.223 -0.923 . . . . 0.0 110.958 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.591 ' N ' ' O ' ' A' ' 132' ' ' LEU . 2.4 tmtt? -49.24 -39.0 28.63 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.857 -1.152 . . . . 0.0 109.875 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.06 -26.26 67.41 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.158 -0.963 . . . . 0.0 109.785 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -89.01 -5.97 57.54 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.2 -0.937 . . . . 0.0 110.569 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.0 mm -104.67 143.29 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.063 -1.023 . . . . 0.0 109.295 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 30.7 t -78.14 154.3 31.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.292 -0.88 . . . . 0.0 109.192 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.53 -39.38 64.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.802 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.0 m -72.26 -45.34 60.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.856 -1.153 . . . . 0.0 109.466 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 44.3 t -64.06 -44.75 91.46 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.206 -0.934 . . . . 0.0 109.701 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.408 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.6 OUTLIER -63.67 -38.8 92.49 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.047 -1.033 . . . . 0.0 108.498 179.46 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . 0.505 ' ND2' ' HZ3' ' A' ' 149' ' ' LYS . 0.4 OUTLIER -56.24 -43.33 78.57 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.338 -0.851 . . . . 0.0 109.133 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.0 m -61.21 -44.64 96.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.256 -0.902 . . . . 0.0 109.292 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 46.1 mt -61.63 -38.83 89.13 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.618 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -61.9 -35.62 78.89 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.154 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . 0.505 ' HZ3' ' ND2' ' A' ' 145' ' ' ASN . 26.9 mttp -61.35 -42.1 98.13 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.263 -0.898 . . . . 0.0 108.874 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -58.4 -42.65 87.61 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . 0.402 HG23 HD12 ' A' ' 151' ' ' ILE . 33.0 mm -64.23 -37.95 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 156' ' ' ILE . 30.0 tttt -57.49 -39.21 75.93 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -61.51 -46.96 87.78 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . 0.665 ' SG ' ' CZ ' ' A' ' 101' ' ' TYR . 38.1 m -67.14 -49.91 63.13 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -61.8 -32.06 72.32 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 152' ' ' LYS . 1.8 mt -58.25 -37.93 65.7 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -39.47 93.34 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 178.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -59.04 -39.03 80.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.369 -0.832 . . . . 0.0 108.887 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.0 t -61.45 -43.46 98.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.401 -0.812 . . . . 0.0 109.886 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . 0.461 ' HZ1' ' CB ' ' A' ' 160' ' ' LYS . 8.1 mtmp? -61.69 -39.12 90.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.064 -1.022 . . . . 0.0 109.494 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.404 ' CD2' ' CD1' ' A' ' 166' ' ' ILE . 56.6 mt -61.64 -37.35 83.69 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.033 -1.042 . . . . 0.0 108.791 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.5 80.95 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.399 -0.813 . . . . 0.0 109.051 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -81.42 -12.81 58.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.277 -0.889 . . . . 0.0 109.167 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.33 0.4 70.46 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.73 142.23 27.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.079 -1.248 . . . . 0.0 109.704 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.404 ' CD1' ' CD2' ' A' ' 161' ' ' LEU . 36.3 mm . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.427 -0.796 . . . . 0.0 109.495 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -62.29 -39.05 91.69 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.326 -0.859 . . . . 0.0 109.138 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -60.8 -47.14 87.71 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.32 -0.862 . . . . 0.0 109.503 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.14 -40.52 86.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.116 -0.99 . . . . 0.0 109.321 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -66.6 -44.62 81.63 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.27 -0.894 . . . . 0.0 109.48 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -65.3 -35.58 81.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.287 -0.883 . . . . 0.0 109.44 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -61.51 -42.79 99.33 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.259 -0.901 . . . . 0.0 109.382 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 8.3 tp -63.97 -42.76 97.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.277 -0.89 . . . . 0.0 109.467 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -60.51 -39.64 88.51 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.241 -0.912 . . . . 0.0 109.315 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.33 -36.26 82.46 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.123 -0.985 . . . . 0.0 108.639 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.7 -38.21 84.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.549 -0.719 . . . . 0.0 109.191 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -87.61 -10.96 49.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.271 -0.893 . . . . 0.0 109.414 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.353 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.301 0.572 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.16 -40.01 84.28 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.144 -0.972 . . . . 0.0 109.116 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -64.48 -34.67 78.75 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.146 -0.971 . . . . 0.0 108.862 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -58.89 -42.38 89.37 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.77 95.32 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.1 93.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.331 -0.855 . . . . 0.0 109.182 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.432 ' CG ' HH11 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.02 -41.5 92.3 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.171 -0.956 . . . . 0.0 108.516 179.386 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.95 -37.4 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.372 -0.83 . . . . 0.0 109.08 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.57 -38.01 76.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.79 -42.51 97.72 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.7 p -69.21 -35.24 76.0 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.9 -46.06 78.49 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -63.61 -39.19 93.74 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.323 -0.861 . . . . 0.0 108.826 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -60.04 -43.0 95.62 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.37 -0.831 . . . . 0.0 109.744 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -61.87 -41.13 97.48 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.085 -1.009 . . . . 0.0 109.441 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.489 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 21.1 t70 -58.78 -39.15 80.21 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.157 -0.965 . . . . 0.0 108.919 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -60.88 -33.15 72.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.392 -0.818 . . . . 0.0 109.388 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -84.41 -8.49 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.319 -0.863 . . . . 0.0 109.519 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.48 9.52 66.7 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 2.7 mm? -95.64 50.79 1.24 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.326 -1.103 . . . . 0.0 108.655 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.29 -32.76 64.15 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.561 ' CD1' ' N ' ' A' ' 22' ' ' ILE . 1.2 mp -57.88 -48.48 83.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 120.992 -1.299 . . . . 0.0 109.555 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.1 mm -61.9 -42.5 94.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.221 -0.924 . . . . 0.0 108.642 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.76 -38.46 95.25 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -63.27 -47.45 82.3 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.082 -1.246 . . . . 0.0 110.764 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.667 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 78.0 t80 -61.26 -45.72 93.34 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.203 -0.936 . . . . 0.0 111.311 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.04 -33.67 76.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.601 -1.312 . . . . 0.0 109.73 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.22 -40.1 88.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.598 -1.314 . . . . 0.0 107.78 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.7 mt -61.25 -37.14 82.03 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.589 ' CZ ' ' OD2' ' A' ' 126' ' ' ASP . 85.8 t80 -66.6 -35.85 81.18 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.462 -0.773 . . . . 0.0 109.168 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.9 -45.78 93.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.319 -0.863 . . . . 0.0 110.113 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.0 p -65.44 -42.0 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.907 -1.121 . . . . 0.0 108.823 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.68 -35.38 77.81 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.929 -1.107 . . . . 0.0 108.78 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.7 tp -63.05 -42.77 99.81 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.456 -0.778 . . . . 0.0 109.694 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.5 mt -62.73 -48.2 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 121.211 -0.931 . . . . 0.0 109.905 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.504 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -65.38 -34.93 79.48 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.357 -0.839 . . . . 0.0 109.367 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.0 m -82.42 -0.15 44.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.203 -0.936 . . . . 0.0 109.114 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -90.83 150.08 21.7 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.374 -0.829 . . . . 0.0 109.622 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.91 150.18 17.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.152 -0.967 . . . . 0.0 109.271 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -58.54 133.31 55.72 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.275 -0.89 . . . . 0.0 109.987 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -122.87 170.13 10.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.714 -0.616 . . . . 0.0 109.467 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p -58.32 171.26 0.59 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.28 -0.888 . . . . 0.0 109.556 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.497 ' O ' ' OG1' ' A' ' 46' ' ' THR . 94.6 mt-30 -56.29 -27.84 56.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.389 -0.819 . . . . 0.0 110.512 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.56 -40.52 52.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.793 -1.192 . . . . 0.0 109.372 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 56.0 ttp -63.97 -36.88 85.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.019 -1.051 . . . . 0.0 109.222 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.524 ' HG1' ' N ' ' A' ' 47' ' ' ALA . 34.7 p -63.21 -36.43 83.61 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 121.204 -0.935 . . . . 0.0 109.104 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.524 ' N ' ' HG1' ' A' ' 46' ' ' THR . . . -64.35 -42.2 96.36 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.278 -0.889 . . . . 0.0 108.665 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.01 -36.35 83.28 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.364 -0.835 . . . . 0.0 109.065 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.88 98.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.267 -0.895 . . . . 0.0 109.053 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.2 m -61.21 -42.9 99.4 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.225 -0.922 . . . . 0.0 109.125 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.63 -41.2 98.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.276 -0.89 . . . . 0.0 109.059 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.45 -40.55 91.56 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.286 -0.884 . . . . 0.0 109.106 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 tp -60.01 -40.62 89.91 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.234 -0.916 . . . . 0.0 108.912 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -59.88 -40.25 88.05 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.9 m -60.49 -40.77 92.52 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.675 -0.64 . . . . 0.0 109.599 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.6 mt -57.19 -53.11 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.182 -0.949 . . . . 0.0 109.05 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.587 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 97.0 mt-10 -63.47 -36.59 84.26 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.48 -33.59 76.04 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' THR . 75.9 t80 -59.65 -54.49 45.76 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.262 -0.899 . . . . 0.0 109.452 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -61.08 -43.88 98.22 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.129 -0.982 . . . . 0.0 109.564 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -83.0 -3.21 56.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.261 -0.9 . . . . 0.0 110.386 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.6 tt0 -50.4 -34.26 23.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.084 -1.01 . . . . 0.0 109.96 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.437 ' C ' ' H ' ' A' ' 65' ' ' GLY . 85.9 mt -68.32 -37.02 77.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.187 -0.945 . . . . 0.0 109.604 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.68 -5.39 11.71 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 91.23 -4.59 80.85 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.09 -46.6 83.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.057 -1.261 . . . . 0.0 109.658 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.6 m -64.97 -35.04 79.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.278 -0.889 . . . . 0.0 109.014 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 69' ' ' ALA . 96.9 mt-10 -63.27 -28.83 70.29 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.553 -0.717 . . . . 0.0 109.723 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -39.55 -37.48 0.49 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.338 -0.851 . . . . 0.0 110.031 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -112.39 133.86 54.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.361 -0.837 . . . . 0.0 109.248 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 51.08 47.88 24.07 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.176 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.499 ' HG ' ' N ' ' A' ' 73' ' ' ASP . 53.9 p -58.65 -36.79 74.68 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.176 -0.953 . . . . 0.0 110.112 -179.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.499 ' N ' ' HG ' ' A' ' 72' ' ' SER . 53.6 t0 -61.04 -44.62 97.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.109 -0.995 . . . . 0.0 109.922 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -67.98 -45.24 74.7 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.35 -0.844 . . . . 0.0 110.534 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.1 m -61.12 -43.99 98.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.07 -1.019 . . . . 0.0 110.147 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.486 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 96.7 mt -68.02 -39.35 83.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.266 -0.896 . . . . 0.0 110.111 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.5 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 75.9 t60 -62.76 -45.63 91.81 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.285 -0.884 . . . . 0.0 110.241 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.0 t -69.51 -48.74 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.086 -1.009 . . . . 0.0 110.573 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 96.8 mmm -66.91 -45.66 77.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.225 -0.922 . . . . 0.0 111.031 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.63 ' OD1' ' N ' ' A' ' 81' ' ' THR . 29.7 p-10 -70.54 -41.69 72.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.799 -1.188 . . . . 0.0 111.139 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.63 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 63.2 m -63.21 -47.33 83.01 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.92 -1.113 . . . . 0.0 111.385 -178.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.9 mt -73.6 -34.04 64.88 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.976 -1.077 . . . . 0.0 111.043 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.5 mt -79.66 -42.43 22.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 120.977 -1.077 . . . . 0.0 110.992 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.521 ' HD1' ' C ' ' A' ' 80' ' ' ASN . 76.1 m80 -72.87 -47.88 42.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.022 -1.049 . . . . 0.0 111.087 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.439 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 64.5 t0 -83.93 110.38 18.36 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.904 -1.123 . . . . 0.0 110.222 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -61.94 -36.73 82.27 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.495 -0.753 . . . . 0.0 110.299 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.93 -41.77 88.12 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.162 -0.961 . . . . 0.0 109.887 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.453 ' O ' ' CD1' ' A' ' 91' ' ' ILE . 30.2 mmtm -61.52 -36.62 81.06 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.85 69.95 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.318 -0.864 . . . . 0.0 109.588 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -58.16 -48.89 78.89 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.233 -0.917 . . . . 0.0 110.887 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.528 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 0.1 OUTLIER -78.29 -37.5 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.723 -1.235 . . . . 0.0 108.916 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.528 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 64.6 t80 -60.8 -46.94 88.54 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.667 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 71.7 mtm -66.75 -38.51 86.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.3 -0.875 . . . . 0.0 109.23 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 tp -61.96 -41.01 97.51 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.183 -0.948 . . . . 0.0 109.218 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -64.24 -44.61 91.3 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.502 -0.749 . . . . 0.0 109.986 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -64.51 -44.25 91.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.283 -0.885 . . . . 0.0 109.946 -179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 32.9 p -61.99 -41.42 98.01 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.105 -0.997 . . . . 0.0 109.561 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.3 ttm -64.6 -46.08 84.19 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.231 -0.918 . . . . 0.0 109.258 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.1 p -72.6 -37.27 68.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.326 -0.859 . . . . 0.0 109.717 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.57 -40.84 89.18 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.316 -0.865 . . . . 0.0 109.395 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.661 ' CZ ' ' SG ' ' A' ' 154' ' ' CYS . 86.8 t80 -63.71 -44.81 92.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.465 -0.772 . . . . 0.0 109.871 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -58.91 -41.58 87.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 109.562 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -61.34 -40.53 94.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.3 -0.875 . . . . 0.0 109.486 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.552 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 83.9 mttt -62.48 -40.91 98.19 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.242 -0.911 . . . . 0.0 109.752 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.1 mt -58.29 -44.2 88.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.077 -1.014 . . . . 0.0 109.176 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -60.68 -39.01 86.83 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.208 -0.932 . . . . 0.0 109.31 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' A' ' 111' ' ' GLY . 94.7 mt-30 -63.08 -39.18 93.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.364 -0.835 . . . . 0.0 109.764 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.443 ' O ' ' CZ2' ' A' ' 113' ' ' TRP . 80.2 mt -64.13 -37.5 87.68 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.008 -1.057 . . . . 0.0 109.692 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -77.48 -53.69 7.33 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.2 -0.937 . . . . 0.0 110.817 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -98.74 -22.87 15.66 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.215 -0.928 . . . . 0.0 110.882 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -87.91 154.61 25.79 Favored Glycine 0 N--CA 1.493 2.495 0 C-N-CA 119.485 -1.341 . . . . 0.0 110.224 -178.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.09 154.31 70.61 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.853 2.369 . . . . 0.0 111.903 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.443 ' CZ2' ' O ' ' A' ' 108' ' ' LEU . 19.5 m-90 -96.55 120.75 37.44 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.219 -0.925 . . . . 0.0 109.746 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 39.5 t0 -135.78 165.57 25.3 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.144 -0.972 . . . . 0.0 109.315 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.488 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 4.2 m -62.92 -32.07 54.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.317 -0.865 . . . . 0.0 109.689 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.4 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 68.6 mtm -59.15 -39.63 83.05 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.33 -0.856 . . . . 0.0 109.436 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.54 -37.96 89.32 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.19 -0.944 . . . . 0.0 109.084 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.405 ' HZ3' ' HB3' ' A' ' 161' ' ' LEU . 73.3 mttt -58.85 -42.99 90.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.293 -0.879 . . . . 0.0 108.869 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -61.53 -39.32 90.62 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.426 -0.796 . . . . 0.0 109.097 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.552 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 21.5 t -62.11 -39.81 93.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.318 -0.864 . . . . 0.0 109.598 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.85 -41.61 98.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.252 -0.905 . . . . 0.0 109.502 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -61.13 -42.42 98.5 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.063 -1.023 . . . . 0.0 109.503 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . 0.542 ' SG ' ' N ' ' A' ' 124' ' ' CYS . 0.1 OUTLIER -69.41 -41.79 75.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.175 -0.953 . . . . 0.0 109.669 179.757 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.542 ' N ' ' SG ' ' A' ' 123' ' ' CYS . 0.0 OUTLIER -62.61 -50.07 72.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.263 -0.898 . . . . 0.0 110.067 -179.625 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.24 -43.53 93.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.16 -0.962 . . . . 0.0 109.627 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . 0.589 ' OD2' ' CZ ' ' A' ' 30' ' ' TYR . 55.0 t0 -62.47 -41.65 98.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.282 -0.886 . . . . 0.0 109.98 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 43.1 tp -63.39 -42.71 98.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -0.892 . . . . 0.0 109.973 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.435 ' CE2' ' CD1' ' A' ' 132' ' ' LEU . 34.4 t80 -67.13 -43.95 81.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.311 -0.868 . . . . 0.0 109.347 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -68.46 -36.76 79.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.351 -0.843 . . . . 0.0 109.87 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' A' ' 126' ' ' ASP . 93.4 m -60.19 -49.14 78.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -0.874 . . . . 0.0 109.894 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.53 -50.17 81.41 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.071 -1.018 . . . . 0.0 109.741 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 136' ' ' LYS . 67.3 mt -66.56 -36.64 83.15 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.903 . . . . 0.0 110.116 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -59.61 -49.77 76.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.068 -1.02 . . . . 0.0 109.838 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 36.2 tp -67.01 -42.86 84.26 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.091 -1.006 . . . . 0.0 109.435 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -86.89 4.08 42.86 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.498 -0.752 . . . . 0.0 109.914 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -53.08 -37.9 62.06 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.298 -0.876 . . . . 0.0 109.855 -179.584 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.94 -24.05 67.68 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.137 -0.977 . . . . 0.0 109.471 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -89.41 -6.61 56.42 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.318 -0.864 . . . . 0.0 109.999 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.9 mt -111.71 148.0 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.369 -0.832 . . . . 0.0 109.553 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 31.5 t -76.74 154.37 34.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.266 -0.896 . . . . 0.0 109.451 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -57.61 -39.36 76.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.316 -0.865 . . . . 0.0 110.037 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 53.2 m -70.32 -45.15 66.8 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.673 -1.267 . . . . 0.0 109.409 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 31.8 m -63.62 -44.94 92.44 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.198 -0.939 . . . . 0.0 109.413 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.582 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.6 OUTLIER -65.44 -39.06 91.6 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.201 -0.937 . . . . 0.0 108.607 179.429 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . 0.575 ' C ' HD21 ' A' ' 145' ' ' ASN . 0.1 OUTLIER -55.12 -41.58 71.89 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.318 -0.864 . . . . 0.0 108.881 179.425 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.3 m -63.67 -43.24 97.28 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.369 -0.832 . . . . 0.0 109.304 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.22 -44.0 97.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.261 -0.899 . . . . 0.0 108.883 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.594 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -62.49 -34.17 76.32 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.02 -41.6 92.56 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.412 -0.805 . . . . 0.0 108.958 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.2 -41.05 97.99 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 83.9 mt -61.41 -38.27 79.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -58.22 -40.85 82.74 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -58.51 -43.52 89.17 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . 0.661 ' SG ' ' CZ ' ' A' ' 101' ' ' TYR . 23.6 m -63.66 -50.38 69.49 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -61.65 -34.47 75.77 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.498 -0.751 . . . . 0.0 109.193 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 13.3 mt -57.74 -47.93 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.308 -0.87 . . . . 0.0 109.804 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -62.99 -40.69 98.51 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.191 -1.041 . . . . 0.0 108.191 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 32.7 tp -59.6 -41.3 90.03 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.553 -0.717 . . . . 0.0 109.218 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.2 m -62.57 -38.05 88.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -0.862 . . . . 0.0 109.365 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -61.22 -40.34 93.64 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.19 -0.944 . . . . 0.0 109.074 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.405 ' HB3' ' HZ3' ' A' ' 118' ' ' LYS . 10.7 mp -65.42 -35.51 81.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.285 -0.885 . . . . 0.0 109.115 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.85 -36.96 82.75 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.295 -0.878 . . . . 0.0 109.071 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -81.44 -12.65 58.84 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.247 -0.908 . . . . 0.0 109.056 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.23 -2.59 71.57 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -94.74 141.5 28.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.195 -1.179 . . . . 0.0 109.738 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.409 HD12 HG21 ' A' ' 166' ' ' ILE . 39.7 mm . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.562 -0.711 . . . . 0.0 109.425 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.43 -40.11 95.51 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.341 -0.849 . . . . 0.0 109.101 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -60.67 -42.72 97.64 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.343 -0.848 . . . . 0.0 109.292 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.35 -40.07 89.39 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.245 -0.909 . . . . 0.0 109.231 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.65 -40.21 96.31 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.872 . . . . 0.0 109.103 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -64.96 -34.99 79.73 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.2 -0.938 . . . . 0.0 108.987 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . 0.587 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 67.2 ttt-85 -60.48 -43.1 97.34 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.308 -0.87 . . . . 0.0 108.881 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.41 -41.43 97.14 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.269 -0.894 . . . . 0.0 108.708 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 200' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' B' ' 204' ' ' GLY . 94.1 mtt-85 -58.32 -37.29 74.81 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.339 -0.851 . . . . 0.0 108.756 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.99 82.25 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 11.6 tp -59.06 -40.21 84.46 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -88.16 -7.59 56.66 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.376 -0.827 . . . . 0.0 109.371 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 204' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' B' ' 200' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 117.98 -1.455 . . . . 0.0 109.536 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.482 ' H1 ' ' CD ' ' A' ' 38' ' ' GLU . 87.8 mtp . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.352 0.596 . . . . 0.0 109.532 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . 0.436 ' CB ' ' SD ' ' A' ' 45' ' ' MET . . . -59.79 -37.05 78.02 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.094 -1.004 . . . . 0.0 109.173 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -63.29 -39.89 95.84 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.197 -0.939 . . . . 0.0 109.076 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -58.06 -42.53 85.67 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.25 93.49 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.8 -46.7 84.27 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.275 -0.89 . . . . 0.0 109.491 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -60.69 -40.81 93.59 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.069 -1.02 . . . . 0.0 109.064 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.6 t -60.97 -38.78 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 121.33 -0.856 . . . . 0.0 108.924 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.38 -38.01 79.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 121.313 -0.867 . . . . 0.0 108.837 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.22 94.92 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.271 -0.972 . . . . 0.0 108.532 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 p -67.54 -35.78 79.73 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.87 91.62 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.457 -0.777 . . . . 0.0 109.048 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -62.83 -42.08 99.59 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.304 -0.872 . . . . 0.0 108.987 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -61.01 -41.49 96.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.231 -0.918 . . . . 0.0 109.383 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.98 -41.09 99.46 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.351 -0.843 . . . . 0.0 109.521 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -58.65 -39.4 80.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.162 -0.961 . . . . 0.0 108.794 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.27 -30.63 70.58 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.471 -0.768 . . . . 0.0 109.09 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -83.66 -13.7 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.507 -0.746 . . . . 0.0 109.562 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.53 22.53 36.73 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.1 mt -95.66 54.44 1.55 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.251 -1.146 . . . . 0.0 108.906 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.11 -30.17 57.16 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.7 mm -58.45 -50.75 77.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.017 -1.284 . . . . 0.0 109.776 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.411 HD13 HG23 ' A' ' 23' ' ' ILE . 18.1 mm -65.24 -43.6 95.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.199 -0.938 . . . . 0.0 109.125 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.27 -40.83 96.38 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.436 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 63.2 t80 -61.72 -48.95 78.41 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.144 -1.209 . . . . 0.0 110.517 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.666 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 74.9 t80 -68.63 -44.48 74.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.911 -1.118 . . . . 0.0 110.809 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.498 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -68.57 -36.55 78.92 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.121 -0.987 . . . . 0.0 110.337 -178.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -63.24 -41.3 99.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.563 -1.336 . . . . 0.0 109.035 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.436 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 82.5 mt -60.58 -41.49 94.78 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.17 -0.956 . . . . 0.0 108.607 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.665 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 72.7 t80 -65.52 -36.73 84.69 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.34 -0.85 . . . . 0.0 109.416 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.62 87.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.27 -0.894 . . . . 0.0 109.894 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.419 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -67.31 -39.75 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.887 -1.133 . . . . 0.0 108.815 179.487 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.419 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 86.4 tt0 -61.27 -35.37 77.11 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.913 -1.117 . . . . 0.0 108.316 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.2 tp -64.53 -41.54 96.3 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.483 -0.76 . . . . 0.0 109.502 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.19 -47.68 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.31 -0.869 . . . . 0.0 110.159 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.3 mp -63.24 -36.58 84.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.249 -0.907 . . . . 0.0 109.439 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.9 p -73.35 -21.4 60.55 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.575 ' OE2' ' NE ' ' A' ' 41' ' ' ARG . 84.4 tt0 -74.99 150.89 38.86 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.173 0.511 . . . . 0.0 109.724 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.21 150.2 14.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.345 -0.847 . . . . 0.0 109.252 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -58.49 135.51 57.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.32 -0.862 . . . . 0.0 110.391 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.575 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 68.8 mtt180 -122.67 170.8 9.67 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 57.0 p -57.38 168.76 0.72 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.249 -0.907 . . . . 0.0 109.941 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.473 ' O ' ' OG1' ' A' ' 46' ' ' THR . 94.6 mt-30 -56.45 -30.09 62.44 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.532 -0.73 . . . . 0.0 110.785 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -54.04 -40.33 67.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.785 -1.197 . . . . 0.0 109.306 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.436 ' SD ' ' CB ' ' A' ' 2' ' ' ALA . 7.8 tpt -65.33 -39.27 92.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.225 -0.922 . . . . 0.0 108.861 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 43' ' ' GLN . 55.1 p -66.53 -34.77 78.65 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.458 -0.776 . . . . 0.0 109.142 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.16 99.02 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.275 -0.89 . . . . 0.0 108.702 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.71 -37.42 87.29 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.403 -0.811 . . . . 0.0 109.163 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.76 -41.72 96.02 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 108.94 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.1 m -62.4 -40.01 95.11 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.309 -0.869 . . . . 0.0 109.351 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.3 -41.82 97.62 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.249 -0.907 . . . . 0.0 109.514 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.23 -39.59 93.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.117 -0.989 . . . . 0.0 109.333 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.4 tp -60.02 -40.98 91.17 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.194 -0.941 . . . . 0.0 109.009 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -61.75 -39.22 90.81 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.387 -0.821 . . . . 0.0 108.988 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.0 m -60.11 -41.65 93.03 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.585 -0.697 . . . . 0.0 109.924 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.428 HD13 HG21 ' A' ' 56' ' ' ILE . 93.1 mt -59.02 -52.93 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.16 -0.963 . . . . 0.0 109.269 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.418 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.8 mt-10 -63.77 -36.85 85.24 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.91 -33.38 74.59 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.542 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.62 -52.99 63.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.309 -0.87 . . . . 0.0 108.804 179.661 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.524 ' HZ3' ' CG2' ' A' ' 83' ' ' ILE . 27.3 mttt -58.66 -40.01 82.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.065 -1.022 . . . . 0.0 108.836 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -82.67 -1.45 51.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.473 -0.767 . . . . 0.0 110.156 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.1 tt0 -48.4 -35.18 12.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.107 -0.995 . . . . 0.0 110.126 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.405 ' CD1' ' SD ' ' A' ' 79' ' ' MET . 77.4 mt -68.56 -36.11 73.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 120.942 -1.099 . . . . 0.0 109.744 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.81 -5.41 24.36 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.63 -2.06 79.73 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -65.46 -46.72 78.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.112 -1.228 . . . . 0.0 108.654 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.1 t -68.03 -31.43 71.1 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.512 0.672 . . . . 0.0 109.213 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' ALA . 97.0 mt-10 -61.61 -29.05 69.79 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.588 -0.695 . . . . 0.0 109.94 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -44.84 -38.23 4.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.964 -1.085 . . . . 0.0 109.545 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -111.61 135.31 52.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.349 -0.844 . . . . 0.0 109.07 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 51.62 48.33 23.08 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.088 -1.007 . . . . 0.0 108.943 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.7 p -57.54 -33.93 68.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.223 -0.923 . . . . 0.0 110.133 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.44 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 90.4 m-20 -62.18 -43.98 97.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.161 -0.962 . . . . 0.0 109.933 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -66.01 -40.63 91.28 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.212 -0.93 . . . . 0.0 110.19 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.4 m -60.7 -45.6 93.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.112 -0.992 . . . . 0.0 109.99 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.88 -36.39 80.17 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.24 -0.912 . . . . 0.0 109.513 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.461 ' O ' ' OG1' ' A' ' 81' ' ' THR . 64.1 m170 -58.88 -45.22 90.72 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.369 -0.832 . . . . 0.0 110.004 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 64.6 t -66.59 -48.98 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.15 -0.969 . . . . 0.0 109.91 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.405 ' SD ' ' CD1' ' A' ' 63' ' ' ILE . 70.8 mtm -67.27 -46.2 74.36 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.982 -1.074 . . . . 0.0 110.248 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.4 ' HA ' ' HD1' ' A' ' 84' ' ' HIS . 2.9 m120 -69.36 -42.12 75.64 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 120.992 -1.067 . . . . 0.0 110.988 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 54.1 m -69.18 -49.25 58.31 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.081 -1.012 . . . . 0.0 111.891 -178.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.6 mt -72.59 -33.91 67.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.979 -1.076 . . . . 0.0 111.379 -178.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.524 ' CG2' ' HZ3' ' A' ' 60' ' ' LYS . 78.8 mt -79.24 -37.0 18.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 120.991 -1.068 . . . . 0.0 111.346 -178.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.4 ' HD1' ' HA ' ' A' ' 80' ' ' ASN . 77.2 m80 -87.78 -27.96 21.98 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.89 -1.131 . . . . 0.0 111.419 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -83.07 100.21 10.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.661 -1.274 . . . . 0.0 109.903 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -62.49 -41.31 98.73 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.465 -0.772 . . . . 0.0 110.811 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.47 -43.7 98.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.097 -1.002 . . . . 0.0 109.792 -179.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -61.9 -31.57 71.88 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.79 -44.26 90.51 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.42 -0.8 . . . . 0.0 110.056 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -65.17 -49.11 71.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.007 -1.058 . . . . 0.0 111.22 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.614 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -65.08 -38.26 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.618 -1.301 . . . . 0.0 109.014 -178.707 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.614 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 44.4 t80 -61.29 -45.47 94.35 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.666 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 70.1 mtm -70.3 -41.72 72.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.361 -0.837 . . . . 0.0 109.773 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.68 -40.02 90.61 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.144 -0.973 . . . . 0.0 109.373 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -63.65 -47.06 82.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.265 -0.897 . . . . 0.0 110.158 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -67.01 -40.94 87.4 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.183 -0.948 . . . . 0.0 110.041 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -61.89 -45.04 95.46 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.001 -1.062 . . . . 0.0 109.448 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 91.0 mtp -65.81 -41.69 91.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.101 -0.999 . . . . 0.0 109.421 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.493 ' HG ' ' N ' ' A' ' 100' ' ' LEU . 84.6 p -69.55 -34.31 74.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.369 -0.832 . . . . 0.0 109.512 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.493 ' N ' ' HG ' ' A' ' 99' ' ' SER . 34.9 tp -64.58 -42.63 95.48 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.151 -0.968 . . . . 0.0 109.58 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.662 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 83.1 t80 -64.97 -43.99 90.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.268 -0.895 . . . . 0.0 110.068 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -58.97 -44.7 91.58 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.225 -0.922 . . . . 0.0 109.91 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.33 -45.97 82.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.17 -0.956 . . . . 0.0 109.382 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.4 ' HZ1' ' HB2' ' A' ' 120' ' ' SER . 33.3 mttm -64.65 -36.81 85.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.24 -0.912 . . . . 0.0 109.188 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.4 tp -55.6 -48.89 74.13 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.379 -0.826 . . . . 0.0 109.042 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -61.4 -37.73 84.5 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.157 -0.964 . . . . 0.0 109.321 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.8 mt-30 -60.39 -39.89 88.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.224 -0.922 . . . . 0.0 109.653 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 72.0 mt -65.76 -38.38 88.94 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.953 -1.092 . . . . 0.0 109.167 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -77.59 -52.93 8.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.442 -0.787 . . . . 0.0 110.388 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -84.06 -22.92 31.07 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.383 -0.823 . . . . 0.0 110.461 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -104.82 155.78 17.12 Favored Glycine 0 N--CA 1.493 2.483 0 C-N-CA 119.909 -1.139 . . . . 0.0 110.315 -179.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -66.47 154.48 74.16 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.89 2.393 . . . . 0.0 111.895 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.555 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 18.4 m-90 -91.06 126.42 36.14 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.182 -0.949 . . . . 0.0 109.84 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -134.05 164.28 27.67 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.424 -0.797 . . . . 0.0 108.947 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -62.76 -32.61 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.125 -0.985 . . . . 0.0 109.207 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.407 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.7 mtm -60.09 -40.58 90.08 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 109.348 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.403 ' O ' ' OG ' ' A' ' 120' ' ' SER . 82.3 mt -63.96 -38.47 91.2 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.303 -0.873 . . . . 0.0 109.426 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -60.27 -40.94 92.13 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.211 -0.931 . . . . 0.0 109.038 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -62.19 -39.34 92.38 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.545 -0.722 . . . . 0.0 109.384 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 117' ' ' LEU . 85.7 p -64.28 -36.98 85.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.375 -0.828 . . . . 0.0 109.921 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.11 -40.45 90.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.152 -0.968 . . . . 0.0 109.538 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -61.81 -40.48 95.39 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.152 -0.967 . . . . 0.0 109.294 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.3 m -64.83 -42.13 95.19 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.275 -0.891 . . . . 0.0 109.589 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.5 m -60.94 -48.23 82.76 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.176 -0.953 . . . . 0.0 109.617 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.22 -36.64 69.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.028 -1.045 . . . . 0.0 108.816 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -59.97 -39.2 84.84 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.253 -0.904 . . . . 0.0 108.929 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.83 -43.63 98.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.263 -0.898 . . . . 0.0 109.287 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -67.02 -43.14 83.61 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -0.905 . . . . 0.0 109.987 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.0 m -65.7 -38.11 88.32 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.186 -0.946 . . . . 0.0 110.499 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.665 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 71.4 m -68.09 -49.66 59.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 0.0 110.7 -178.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 16.3 pt -74.03 -38.18 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 120.93 -1.106 . . . . 0.0 110.152 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 51.3 tp -60.26 -41.37 93.11 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.251 -0.906 . . . . 0.0 109.565 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -69.43 -49.3 56.39 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.312 -0.868 . . . . 0.0 110.714 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 43.7 tp -63.39 -46.84 84.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.053 -1.029 . . . . 0.0 110.825 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 7.1 m-90 -87.87 5.36 40.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.075 -1.015 . . . . 0.0 110.458 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.59 -43.17 35.74 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.045 -1.034 . . . . 0.0 109.706 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -69.27 -21.33 63.9 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.244 -0.91 . . . . 0.0 109.362 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -89.39 -5.2 57.64 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.365 -0.834 . . . . 0.0 110.527 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.7 mt -112.3 146.79 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.318 -0.864 . . . . 0.0 109.764 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.7 m -77.1 154.91 32.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.449 -0.782 . . . . 0.0 109.336 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.34 -40.79 83.1 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.156 -0.965 . . . . 0.0 109.878 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 26.0 m -72.1 -42.79 65.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.818 -1.176 . . . . 0.0 109.298 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.2 m -59.23 -40.11 84.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.201 -0.937 . . . . 0.0 108.605 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.495 ' O ' ' OE1' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -66.13 -38.3 87.81 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ASN . . . . . 0.411 ' N ' HG22 ' A' ' 144' ' ' THR . 24.5 t-20 -54.13 -45.39 71.93 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.393 -0.817 . . . . 0.0 109.543 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.3 m -64.35 -46.49 83.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.082 -1.011 . . . . 0.0 109.444 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.91 -39.67 93.88 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.282 -0.886 . . . . 0.0 109.668 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . 0.619 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.3 OUTLIER -62.47 -38.62 90.52 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.241 -0.912 . . . . 0.0 109.31 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -64.06 -38.16 90.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.188 -0.945 . . . . 0.0 109.545 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -60.92 -41.26 95.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.158 -0.964 . . . . 0.0 109.006 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 84.3 mt -61.59 -40.97 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.465 -0.772 . . . . 0.0 109.037 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -58.87 -40.84 85.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.392 -0.818 . . . . 0.0 108.939 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -59.05 -44.02 91.74 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.0 109.084 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' CYS . . . . . 0.662 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 78.7 m -63.9 -50.32 69.2 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.365 -0.834 . . . . 0.0 108.816 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -61.86 -34.93 76.89 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.469 -0.769 . . . . 0.0 109.199 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 11.7 mt -58.08 -48.02 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.223 -0.923 . . . . 0.0 109.974 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.555 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 51.1 t80 -63.15 -41.07 99.2 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 32.7 tp -62.75 -42.67 99.79 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.757 -0.59 . . . . 0.0 109.761 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 20.8 m -64.46 -45.92 85.35 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.194 -0.941 . . . . 0.0 109.848 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -61.83 -42.81 99.49 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.159 -0.963 . . . . 0.0 109.04 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 27.7 tp -66.75 -35.17 79.48 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.342 -0.849 . . . . 0.0 109.035 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.86 -35.09 75.69 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.438 -0.789 . . . . 0.0 109.536 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -81.23 -8.49 59.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.195 -0.94 . . . . 0.0 108.921 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.79 -5.68 76.59 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -96.17 103.33 15.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.169 -1.195 . . . . 0.0 109.332 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' ILE . . . . . 0.405 ' CD1' ' CZ ' ' A' ' 157' ' ' TYR . 7.0 tp . . . . . 0 C--N 1.304 -1.408 0 O-C-N 121.07 -1.019 . . . . 0.0 109.826 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.81 -39.52 92.05 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.362 -0.836 . . . . 0.0 108.962 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -60.53 -44.24 96.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.0 109.309 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 25.6 tp -60.83 -39.58 89.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.249 -0.907 . . . . 0.0 109.153 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.43 96.74 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.341 -0.849 . . . . 0.0 109.602 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -64.7 -36.04 83.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.11 -0.994 . . . . 0.0 109.364 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . 0.418 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 76.9 ttt180 -61.39 -42.95 99.54 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.179 -0.95 . . . . 0.0 108.906 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 1.5 tp -63.44 -41.73 98.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.404 -0.81 . . . . 0.0 109.476 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 200' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' B' ' 204' ' ' GLY . 98.3 mtt180 -57.79 -36.54 72.32 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.269 -0.895 . . . . 0.0 109.116 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.21 88.07 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.117 -0.99 . . . . 0.0 108.432 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 7.1 tp -65.61 -38.0 88.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.387 -0.821 . . . . 0.0 108.9 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -87.53 -7.32 57.72 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.443 -0.785 . . . . 0.0 109.364 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 204' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' B' ' 200' ' ' ARG . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.0 mtm . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.577 ' CB ' ' NH1' ' A' ' 41' ' ' ARG . . . -59.18 -40.48 85.81 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.248 -0.908 . . . . 0.0 109.109 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -64.35 -34.85 79.11 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.143 -0.973 . . . . 0.0 108.987 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -58.96 -41.95 88.71 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.53 94.35 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.75 -45.72 89.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.333 -0.855 . . . . 0.0 109.359 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -60.64 -39.13 87.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.161 -0.962 . . . . 0.0 109.011 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.77 -39.89 84.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.319 -0.863 . . . . 0.0 109.453 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.2 t -60.87 -41.84 90.29 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 O-C-N 121.13 -0.981 . . . . 0.0 108.485 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.56 -45.16 80.23 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.334 -0.854 . . . . 0.0 108.949 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.52 -34.4 77.83 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.332 -0.855 . . . . 0.0 108.694 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.96 93.48 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.152 -0.968 . . . . 0.0 108.815 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -62.29 -39.7 93.82 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.404 -0.81 . . . . 0.0 109.025 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -59.07 -43.32 91.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.222 -0.923 . . . . 0.0 109.515 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -63.48 -39.89 95.66 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.286 -0.884 . . . . 0.0 109.482 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -58.57 -38.62 78.28 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.076 -1.015 . . . . 0.0 108.672 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.55 -31.36 71.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.463 -0.773 . . . . 0.0 109.111 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -83.78 -14.77 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.433 -0.792 . . . . 0.0 109.755 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.82 24.29 33.12 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.9 mt -95.55 54.93 1.63 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.227 -1.161 . . . . 0.0 109.385 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.96 -28.34 48.04 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.7 mm -58.52 -52.24 61.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.105 -1.232 . . . . 0.0 109.685 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.424 HD13 HG23 ' A' ' 23' ' ' ILE . 21.2 mm -64.1 -35.84 75.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.7 -47.08 92.18 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.429 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 65.9 t80 -61.55 -48.44 81.0 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.034 -1.274 . . . . 0.0 110.181 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.669 ' CD2' ' SD ' ' A' ' 93' ' ' MET . 65.1 t80 -64.73 -45.41 86.64 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.241 -0.912 . . . . 0.0 110.899 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.494 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -66.76 -36.4 82.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.954 -1.091 . . . . 0.0 110.141 -178.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -61.71 -39.79 92.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.72 -1.238 . . . . 0.0 108.769 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.429 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 93.5 mt -61.02 -39.06 88.33 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -65.82 -36.21 82.85 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.209 -0.932 . . . . 0.0 109.32 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.8 92.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.362 -0.836 . . . . 0.0 110.338 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.72 -41.77 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.793 -1.192 . . . . 0.0 109.038 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.68 -35.61 78.48 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.943 -1.098 . . . . 0.0 108.946 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.2 tp -64.7 -43.13 94.49 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 110.069 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.56 -48.18 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.066 -1.021 . . . . 0.0 110.064 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.491 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -64.53 -35.25 80.36 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.353 -0.842 . . . . 0.0 109.327 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.9 m -83.54 -0.12 48.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.234 -0.916 . . . . 0.0 109.211 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.517 ' OE2' ' CB ' ' A' ' 2' ' ' ALA . 84.7 tt0 -89.99 149.92 22.35 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.341 -0.849 . . . . 0.0 109.787 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -57.06 151.0 15.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.381 -0.824 . . . . 0.0 109.566 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -58.73 131.94 52.38 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.403 -0.81 . . . . 0.0 109.9 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.577 ' NH1' ' CB ' ' A' ' 2' ' ' ALA . 68.5 mtp180 -122.07 170.02 10.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.611 -0.68 . . . . 0.0 109.628 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.7 m -58.11 170.02 0.73 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.385 -0.822 . . . . 0.0 109.847 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.491 ' O ' ' OG1' ' A' ' 46' ' ' THR . 94.3 mt-30 -56.13 -28.0 56.23 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.486 -0.759 . . . . 0.0 110.552 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.29 -40.39 48.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.782 -1.199 . . . . 0.0 109.294 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.577 ' O ' ' SD ' ' A' ' 45' ' ' MET . 7.0 tmm? -63.36 -38.22 90.31 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.227 -0.921 . . . . 0.0 109.068 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 43' ' ' GLN . 34.1 p -62.07 -36.41 81.57 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.24 -0.912 . . . . 0.0 109.133 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.485 ' O ' ' OG1' ' A' ' 50' ' ' THR . . . -63.96 -43.12 96.75 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.179 -0.951 . . . . 0.0 108.734 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.13 -35.56 81.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.328 -0.858 . . . . 0.0 109.061 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.9 -38.25 90.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.301 -0.875 . . . . 0.0 109.321 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 47' ' ' ALA . 70.0 p -65.39 -43.24 91.31 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.338 -0.851 . . . . 0.0 109.339 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.75 -40.2 91.58 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.64 -39.23 87.51 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.309 -0.869 . . . . 0.0 108.793 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 36.1 tp -59.8 -40.93 90.02 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.311 -0.868 . . . . 0.0 108.733 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -59.95 -39.39 85.42 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 59' ' ' PHE . 47.2 m -60.25 -39.93 88.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.696 -0.627 . . . . 0.0 109.566 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.6 mm -59.83 -55.16 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.119 -0.988 . . . . 0.0 109.233 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -63.43 -38.08 89.77 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.588 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.03 -31.98 71.16 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 55' ' ' THR . 82.3 t80 -59.22 -54.37 47.68 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.299 -0.875 . . . . 0.0 109.55 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -62.33 -41.7 98.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.034 -1.041 . . . . 0.0 109.33 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -82.73 -3.07 55.98 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.318 -0.864 . . . . 0.0 110.071 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.72 -35.33 21.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.205 -0.934 . . . . 0.0 109.821 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.426 ' C ' ' H ' ' A' ' 65' ' ' GLY . 85.1 mt -68.66 -37.55 77.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.152 -0.968 . . . . 0.0 109.796 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.84 -5.36 12.62 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 91.82 -5.52 79.41 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.64 -46.6 81.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.126 -1.22 . . . . 0.0 109.765 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -64.62 -34.77 79.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.207 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 69' ' ' ALA . 97.1 mt-10 -62.45 -28.65 69.95 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.451 -0.781 . . . . 0.0 109.904 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -39.26 -37.33 0.41 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.389 -0.82 . . . . 0.0 109.882 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -112.08 132.57 54.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.402 -0.811 . . . . 0.0 109.155 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 50.94 48.61 22.71 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.127 -0.983 . . . . 0.0 108.998 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 p -57.31 -36.54 71.23 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.251 -0.906 . . . . 0.0 110.127 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.583 ' O ' ' ND1' ' A' ' 77' ' ' HIS . 90.3 m-20 -62.11 -43.76 98.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.1 -1.0 . . . . 0.0 109.887 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -63.79 -41.66 97.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.327 -0.858 . . . . 0.0 109.95 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.5 t -59.51 -42.74 92.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.957 . . . . 0.0 110.115 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.12 -40.32 94.33 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.15 -0.969 . . . . 0.0 109.824 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.583 ' ND1' ' O ' ' A' ' 73' ' ' ASP . 61.9 m80 -62.59 -45.64 91.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.165 -0.959 . . . . 0.0 110.198 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.06 -49.81 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.158 -0.964 . . . . 0.0 110.11 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 96.9 mmm -68.3 -46.66 69.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.245 -0.909 . . . . 0.0 110.81 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.591 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 57.3 t-20 -68.98 -45.56 70.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.016 -1.053 . . . . 0.0 111.631 -178.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 54.0 m -63.92 -47.7 79.48 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.091 -1.006 . . . . 0.0 111.963 -178.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 19.9 mt -72.72 -34.07 66.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.949 -1.094 . . . . 0.0 111.563 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 90.1 mt -79.32 -42.26 23.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 120.912 -1.117 . . . . 0.0 111.361 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.591 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 63.6 m80 -75.92 -42.48 48.76 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.053 -1.03 . . . . 0.0 111.367 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -81.63 107.4 14.36 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.801 -1.187 . . . . 0.0 110.019 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 87' ' ' GLU . 12.4 pt20 -62.34 -40.53 96.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.419 -0.801 . . . . 0.0 109.938 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 86' ' ' GLN . 97.6 mt-10 -61.39 -40.96 96.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.198 -0.938 . . . . 0.0 109.392 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -61.88 -33.01 73.42 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.82 -44.41 81.21 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.153 -0.967 . . . . 0.0 110.086 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -63.46 -49.1 74.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.118 -0.989 . . . . 0.0 111.26 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.607 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -60.58 -38.24 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.75 -1.219 . . . . 0.0 108.822 -178.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.607 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 55.5 t80 -62.2 -40.25 95.46 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.669 ' SD ' ' CD2' ' A' ' 26' ' ' TYR . 87.9 mtp -67.1 -42.41 84.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.493 -0.754 . . . . 0.0 110.036 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 98' ' ' MET . 90.9 mt -60.99 -37.5 82.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.903 -1.123 . . . . 0.0 109.147 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -64.85 -49.46 70.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.162 -0.961 . . . . 0.0 109.981 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -80.04 -49.59 11.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.329 -0.857 . . . . 0.0 109.484 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.54 ' N ' ' O ' ' A' ' 93' ' ' MET . 15.0 m -55.85 -43.42 77.03 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.399 -0.813 . . . . 0.0 109.587 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.443 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 51.5 ttm -67.54 -46.3 73.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.002 -1.062 . . . . 0.0 109.42 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.1 p -66.2 -35.06 79.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.388 -0.82 . . . . 0.0 109.499 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.2 tp -63.8 -40.44 96.64 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.337 -0.852 . . . . 0.0 109.608 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.663 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 75.8 t80 -65.93 -48.34 71.73 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.311 -0.868 . . . . 0.0 110.343 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -62.0 -46.7 88.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.1 -1.0 . . . . 0.0 109.866 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.12 -36.28 83.51 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.238 -0.914 . . . . 0.0 109.129 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.532 ' CE ' ' OG ' ' A' ' 120' ' ' SER . 56.1 tttm -61.87 -41.69 98.16 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.329 -0.857 . . . . 0.0 109.326 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 92.7 mt -59.01 -43.46 91.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.121 -0.987 . . . . 0.0 108.686 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -60.36 -37.9 82.14 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.295 -0.878 . . . . 0.0 109.066 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.598 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.7 mt-30 -63.05 -39.71 95.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.377 -0.827 . . . . 0.0 109.577 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.43 ' CD1' ' CE2' ' A' ' 157' ' ' TYR . 67.6 mt -64.68 -37.91 89.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.116 -0.99 . . . . 0.0 109.028 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -78.11 -52.97 7.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.566 -0.709 . . . . 0.0 110.403 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -83.67 -22.97 31.94 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.462 -0.774 . . . . 0.0 110.439 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.598 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.46 155.25 17.95 Favored Glycine 0 N--CA 1.493 2.485 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.266 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.09 154.23 70.72 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.921 2.414 . . . . 0.0 112.01 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.589 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 11.7 m-90 -91.17 123.74 34.85 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.202 -0.937 . . . . 0.0 109.454 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 47.9 t0 -135.64 169.62 17.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.343 -0.848 . . . . 0.0 109.424 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.414 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 3.2 m -61.01 -32.45 52.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.293 -0.879 . . . . 0.0 109.368 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.402 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.4 mtm -59.56 -36.71 76.72 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.272 -0.893 . . . . 0.0 109.218 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.9 mm? -64.16 -38.74 92.16 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.218 -0.926 . . . . 0.0 109.067 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -59.99 -43.41 95.16 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.338 -0.851 . . . . 0.0 109.23 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -61.92 -39.14 90.99 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.448 -0.783 . . . . 0.0 109.308 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.532 ' OG ' ' CE ' ' A' ' 104' ' ' LYS . 94.4 p -66.11 -35.51 80.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.394 -0.816 . . . . 0.0 109.754 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.96 -41.27 97.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 109.354 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -63.51 -41.37 98.53 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.147 -0.971 . . . . 0.0 109.188 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.7 m -67.68 -43.41 80.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.857 . . . . 0.0 109.893 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 88.6 m -57.25 -48.26 79.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.094 -1.004 . . . . 0.0 109.643 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.28 -37.88 75.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.21 -0.931 . . . . 0.0 109.09 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.24 -39.65 87.47 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.368 -0.833 . . . . 0.0 109.38 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.84 -44.41 96.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.214 -0.929 . . . . 0.0 109.694 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -71.68 -42.43 67.46 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.256 -0.903 . . . . 0.0 109.829 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.429 ' HG ' ' N ' ' A' ' 130' ' ' CYS . 85.9 p -65.7 -34.3 77.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.238 -0.914 . . . . 0.0 109.879 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.479 ' SG ' ' OH ' ' A' ' 26' ' ' TYR . 1.6 t -68.77 -49.8 55.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.113 -0.992 . . . . 0.0 109.869 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 83.9 mt -63.47 -50.09 79.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 121.232 -0.918 . . . . 0.0 109.913 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 136' ' ' LYS . 55.7 tp -62.23 -41.11 98.12 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.358 -0.839 . . . . 0.0 110.258 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -60.42 -49.52 77.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.185 -0.947 . . . . 0.0 110.456 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.8 tp -67.79 -44.05 78.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.061 -1.024 . . . . 0.0 110.135 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -87.07 3.45 46.07 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.268 -0.895 . . . . 0.0 110.598 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.656 ' HZ1' ' CB ' ' A' ' 144' ' ' THR . 11.7 tptt -51.3 -38.29 52.06 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.057 -1.027 . . . . 0.0 109.999 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -64.65 -24.32 67.54 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 109.525 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -91.61 -3.2 56.66 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.266 -0.896 . . . . 0.0 110.571 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.2 mm -103.87 144.61 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.952 -1.092 . . . . 0.0 109.466 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 48.8 m -77.18 155.12 32.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.334 -0.853 . . . . 0.0 108.962 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.37 -41.92 81.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.055 -1.028 . . . . 0.0 109.84 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 27.1 m -71.78 -42.87 66.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.961 -1.087 . . . . 0.0 109.263 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 29.2 t -58.85 -38.91 79.79 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.148 -0.97 . . . . 0.0 108.477 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.656 ' CB ' ' HZ1' ' A' ' 136' ' ' LYS . 0.4 OUTLIER -64.74 -38.43 90.96 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.863 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . 0.412 ' N ' HG22 ' A' ' 144' ' ' THR . 25.4 t-20 -55.97 -45.55 78.88 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.508 -0.745 . . . . 0.0 109.726 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.5 m -63.22 -46.34 87.43 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.112 -0.992 . . . . 0.0 109.537 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.16 -40.84 94.9 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.31 -0.869 . . . . 0.0 109.528 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.607 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -61.61 -38.3 87.08 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.238 -0.914 . . . . 0.0 109.388 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -62.37 -39.51 93.42 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.977 -1.077 . . . . 0.0 108.873 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -59.52 -39.72 84.82 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.25 -0.906 . . . . 0.0 108.816 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.436 HG23 HD11 ' A' ' 151' ' ' ILE . 33.4 mm -61.78 -40.22 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.328 -0.858 . . . . 0.0 108.922 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 156' ' ' ILE . 22.4 tttt -57.96 -42.1 84.3 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.379 -0.825 . . . . 0.0 108.829 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -59.57 -44.85 93.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -0.882 . . . . 0.0 108.928 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . 0.663 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 36.6 m -65.36 -48.58 72.45 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.09 -33.98 75.44 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 152' ' ' LYS . 7.7 mt -57.78 -47.61 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 O-C-N 121.269 -0.894 . . . . 0.0 109.517 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.589 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 67.8 t80 -62.86 -39.56 94.79 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 41.2 tp -61.71 -42.28 98.73 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.627 -0.671 . . . . 0.0 109.769 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 86.2 p -66.46 -39.73 89.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.223 -0.923 . . . . 0.0 109.978 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.85 -38.65 89.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.133 -0.979 . . . . 0.0 109.226 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.5 -35.64 80.75 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.285 -0.884 . . . . 0.0 108.987 179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.02 86.84 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.324 -0.86 . . . . 0.0 109.258 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -81.93 -12.34 58.45 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.293 -0.879 . . . . 0.0 109.382 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 89.02 -1.07 82.75 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -95.05 150.19 20.44 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.232 -1.158 . . . . 0.0 109.728 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 167' ' ' GLY . 37.8 mm -116.66 136.96 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.493 -0.754 . . . . 0.0 109.456 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 166' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 118.021 -1.433 . . . . 0.0 109.54 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.46 113.25 64.46 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.32 -0.862 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -51.15 -23.95 13.88 Favored 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 121.967 1.778 . . . . 0.0 112.065 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.76 143.57 41.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.0 109.5 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 70.7 mt -115.33 133.52 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.469 -0.769 . . . . 0.0 109.457 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -88.21 145.91 25.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.236 -0.915 . . . . 0.0 109.367 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -63.04 141.51 58.73 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.162 -0.961 . . . . 0.0 109.525 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -59.54 -33.28 71.19 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.299 -0.876 . . . . 0.0 109.532 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -101.3 160.71 14.18 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.305 -0.872 . . . . 0.0 109.603 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 9.0 p -128.16 146.85 33.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.508 -0.745 . . . . 0.0 109.571 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -54.26 -36.83 64.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.458 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 67.2 t -61.11 -45.89 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.985 -1.072 . . . . 0.0 109.731 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -63.82 -35.24 79.95 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.818 -1.176 . . . . 0.0 109.375 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -58.72 -45.66 89.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.389 -0.819 . . . . 0.0 110.593 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.16 -44.46 72.21 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.143 -0.973 . . . . 0.0 110.386 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -58.25 -42.58 86.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.762 -1.211 . . . . 0.0 109.479 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.3 -36.39 83.93 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.27 -0.894 . . . . 0.0 109.26 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.71 -41.45 95.29 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.336 -0.853 . . . . 0.0 109.093 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 39.9 tttp -62.02 -44.51 96.56 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.331 -0.856 . . . . 0.0 109.124 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.43 -41.46 97.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.285 -0.885 . . . . 0.0 108.961 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.1 -35.96 82.8 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.395 -0.815 . . . . 0.0 109.39 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -64.72 -36.33 83.93 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.133 -0.979 . . . . 0.0 109.419 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -65.22 -43.48 91.34 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.096 -1.003 . . . . 0.0 109.243 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 5.9 tp -63.37 -47.32 82.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.189 -0.944 . . . . 0.0 109.511 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -60.5 -37.76 82.14 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.175 -0.953 . . . . 0.0 109.022 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.01 79.48 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 18.8 tp -60.36 -38.56 84.25 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . 0.405 HH21 HD21 ' A' ' 29' ' ' LEU . 95.5 mtt180 -87.39 -10.61 51.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.333 -0.854 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 CA-C-O 117.993 -1.448 . . . . 0.0 109.566 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.522 ' H3 ' ' CG ' ' A' ' 4' ' ' ASN . 64.7 mtt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.58 ' N ' ' OE2' ' A' ' 38' ' ' GLU . . . -59.3 -39.04 81.78 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.145 -0.972 . . . . 0.0 109.048 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -63.55 -38.74 92.27 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.258 -0.901 . . . . 0.0 108.845 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.522 ' CG ' ' H3 ' ' A' ' 1' ' ' MET . 2.9 m120 -57.66 -39.61 77.44 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.67 95.04 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.83 95.08 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.395 -0.816 . . . . 0.0 109.201 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.651 ' NH1' ' NH2' ' A' ' 119' ' ' ARG . 14.5 tpp85 -60.4 -39.89 88.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.253 -0.904 . . . . 0.0 109.019 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.0 -37.94 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.336 -0.853 . . . . 0.0 109.058 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.65 -40.71 85.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.97 81.45 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.391 -0.818 . . . . 0.0 108.936 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -35.45 80.87 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.44 -42.03 90.97 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.206 -0.934 . . . . 0.0 108.538 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -60.43 -38.51 84.32 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -58.25 -41.08 83.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.373 -0.829 . . . . 0.0 109.108 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -62.03 -41.46 98.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.0 109.482 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -58.61 -39.16 79.63 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.129 -0.982 . . . . 0.0 109.06 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -61.51 -32.74 72.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.427 -0.796 . . . . 0.0 109.314 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 t -84.29 -14.31 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.0 109.545 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.2 8.32 68.81 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.404 ' CD1' ' N ' ' A' ' 20' ' ' LEU . 11.0 mp -97.66 54.67 1.18 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.384 -1.068 . . . . 0.0 109.193 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.84 -22.83 35.44 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.1 mm -58.11 -48.8 83.51 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.073 -1.251 . . . . 0.0 109.831 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.446 HG23 HD12 ' A' ' 23' ' ' ILE . 23.1 mm -63.43 -42.57 96.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.042 -1.036 . . . . 0.0 108.947 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.63 -38.52 93.86 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -62.97 -47.6 82.45 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.023 -1.28 . . . . 0.0 110.641 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -59.93 -46.73 88.44 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.126 -0.984 . . . . 0.0 111.267 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.71 -33.78 76.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.677 -1.264 . . . . 0.0 110.177 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -60.19 -40.68 90.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.667 -1.271 . . . . 0.0 108.421 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.95 -42.28 93.71 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.66 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 89.5 t80 -64.47 -35.69 81.76 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.616 -0.678 . . . . 0.0 109.266 178.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.94 -45.28 86.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.335 -0.853 . . . . 0.0 109.901 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.405 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -67.08 -40.23 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 120.881 -1.137 . . . . 0.0 108.762 179.504 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 97.0 mt-10 -61.78 -35.51 78.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.948 -1.095 . . . . 0.0 108.6 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 tp -64.48 -42.0 96.14 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.426 -0.796 . . . . 0.0 109.832 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.4 mt -61.44 -48.49 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.239 -0.913 . . . . 0.0 110.088 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 7.2 mp -65.19 -34.58 78.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.319 -0.863 . . . . 0.0 109.702 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.8 m -83.28 -0.21 48.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 0.0 109.354 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.58 ' OE2' ' N ' ' A' ' 2' ' ' ALA . 83.8 tt0 -96.85 150.45 20.71 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.325 -0.86 . . . . 0.0 109.701 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.7 149.45 17.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.254 -0.904 . . . . 0.0 109.526 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -58.93 138.82 57.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.359 -0.838 . . . . 0.0 110.272 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.528 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 94.5 mtt-85 -122.71 170.79 9.69 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.492 ' OG ' ' OE1' ' A' ' 44' ' ' GLU . 87.2 p -57.46 166.4 1.26 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.293 -0.88 . . . . 0.0 110.036 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.8 -30.97 64.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.555 -0.715 . . . . 0.0 110.904 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.492 ' OE1' ' OG ' ' A' ' 42' ' ' SER . 55.1 mp0 -54.79 -40.09 69.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.81 -1.181 . . . . 0.0 109.629 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.2 tpt -64.68 -37.48 87.73 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.041 -1.037 . . . . 0.0 108.898 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.7 m -59.78 -40.84 89.62 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.523 -0.735 . . . . 0.0 109.383 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.91 -44.21 96.71 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.2 -0.938 . . . . 0.0 108.92 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.2 tp -61.16 -39.67 90.98 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.293 -0.879 . . . . 0.0 108.973 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.78 90.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.366 -0.834 . . . . 0.0 109.06 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.7 m -60.76 -40.8 93.84 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.258 -0.901 . . . . 0.0 108.859 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.99 -39.52 89.97 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.368 -0.832 . . . . 0.0 109.166 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.5 mt -61.74 -40.66 95.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.15 -0.969 . . . . 0.0 109.14 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.489 ' CD2' ' HE ' ' B' ' 198' ' ' ARG . 42.3 tp -59.94 -40.34 88.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.129 -0.982 . . . . 0.0 108.662 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -60.12 -38.45 83.05 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 59' ' ' PHE . 32.4 m -60.12 -42.56 95.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.685 -0.635 . . . . 0.0 109.427 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 90.7 mt -57.87 -52.28 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.149 -0.969 . . . . 0.0 108.714 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.21 -36.35 81.67 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.39 -32.88 74.54 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' THR . 77.4 t80 -58.58 -51.69 68.83 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.263 -0.898 . . . . 0.0 108.804 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HZ1' ' CD1' ' B' ' 202' ' ' LEU . 98.5 mttt -61.51 -39.24 90.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.222 -0.923 . . . . 0.0 108.909 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -82.3 -1.6 50.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.509 -0.744 . . . . 0.0 109.66 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.6 tt0 -48.43 -33.54 9.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.311 -0.868 . . . . 0.0 110.111 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.551 ' CD1' ' SD ' ' A' ' 79' ' ' MET . 85.9 mt -67.72 -41.04 84.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.015 -1.053 . . . . 0.0 109.596 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.49 -5.54 10.35 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.209 -1.557 . . . . 0.0 109.209 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 91.2 -5.24 81.27 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -66.56 -46.6 75.5 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.091 -1.241 . . . . 0.0 108.76 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.1 t -66.99 -30.88 71.11 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.521 0.677 . . . . 0.0 109.179 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.25 -28.68 69.34 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.469 -0.77 . . . . 0.0 109.886 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.97 -36.34 72.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.993 -1.067 . . . . 0.0 110.098 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -122.79 139.38 54.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.274 -0.891 . . . . 0.0 109.867 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 48.55 43.78 20.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.275 -0.891 . . . . 0.0 109.165 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -42.08 99.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.353 -0.842 . . . . 0.0 110.462 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.587 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 91.0 m-20 -60.99 -45.04 96.4 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.046 -1.034 . . . . 0.0 109.806 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -69.82 -44.42 70.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.302 -0.874 . . . . 0.0 110.513 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.8 m -61.64 -45.3 94.63 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.089 -1.007 . . . . 0.0 110.237 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 99.2 mt -68.3 -38.54 81.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.982 . . . . 0.0 110.109 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.587 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 66.6 m170 -58.07 -45.34 87.27 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.165 -0.959 . . . . 0.0 110.324 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.77 -49.55 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.049 -1.032 . . . . 0.0 110.217 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.551 ' SD ' ' CD1' ' A' ' 63' ' ' ILE . 88.8 mtp -68.07 -46.14 71.87 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.18 -0.95 . . . . 0.0 110.894 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.582 ' C ' ' HD1' ' A' ' 84' ' ' HIS . 2.7 m120 -69.13 -44.16 72.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.954 -1.091 . . . . 0.0 110.908 -178.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 88.9 m -61.86 -47.44 85.01 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.036 -1.04 . . . . 0.0 111.394 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.1 mt -73.47 -34.66 65.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.904 -1.122 . . . . 0.0 110.985 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.7 mt -80.33 -42.77 21.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 120.99 -1.069 . . . . 0.0 111.405 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.582 ' HD1' ' C ' ' A' ' 80' ' ' ASN . 74.8 m80 -71.35 -47.99 53.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.021 -1.049 . . . . 0.0 111.14 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -79.47 111.18 15.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.908 -1.12 . . . . 0.0 110.119 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -61.79 -36.48 81.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.442 -0.786 . . . . 0.0 109.848 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.524 ' OE2' ' CH2' ' A' ' 135' ' ' TRP . 76.7 mm-40 -59.66 -41.21 90.08 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.2 -0.937 . . . . 0.0 109.624 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -62.53 -34.46 76.97 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.173 -0.954 . . . . 0.0 108.651 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.2 -41.94 69.64 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.271 -0.893 . . . . 0.0 109.467 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -62.42 -48.38 79.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.184 -0.947 . . . . 0.0 109.764 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.477 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -70.19 -45.09 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.304 -0.873 . . . . 0.0 109.29 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.477 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 57.8 t80 -61.61 -46.02 91.62 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.1 -1.0 . . . . 0.0 108.483 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.8 mmm -65.56 -40.62 93.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.308 -0.87 . . . . 0.0 109.216 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.2 tp -63.93 -41.56 97.6 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.356 -0.84 . . . . 0.0 109.705 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -62.15 -43.69 98.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.353 -0.842 . . . . 0.0 109.821 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -64.16 -44.83 90.89 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.296 -0.878 . . . . 0.0 109.641 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 45.8 p -61.53 -41.87 97.98 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.284 -0.885 . . . . 0.0 109.877 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.1 ttm -59.63 -40.28 87.12 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.255 -0.903 . . . . 0.0 109.003 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 m -61.76 -40.65 95.89 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.454 -0.778 . . . . 0.0 109.295 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 78.2 mt -65.49 -38.51 89.96 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.246 -0.909 . . . . 0.0 109.579 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.438 ' CE2' ' CD1' ' A' ' 105' ' ' LEU . 82.5 t80 -58.87 -48.07 82.68 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.168 -0.958 . . . . 0.0 110.111 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -65.21 -44.73 87.4 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.075 -1.016 . . . . 0.0 110.46 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.37 -41.97 98.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.233 -0.917 . . . . 0.0 110.611 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -63.22 -42.11 99.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.039 -1.038 . . . . 0.0 110.24 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.438 ' CD1' ' CE2' ' A' ' 101' ' ' TYR . 93.2 mt -57.14 -46.48 82.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.973 -1.079 . . . . 0.0 109.227 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -60.94 -40.11 92.06 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.111 -0.993 . . . . 0.0 109.618 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.0 mt-30 -64.28 -39.08 93.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.239 -0.913 . . . . 0.0 110.05 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.22 -37.46 87.56 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.86 -1.15 . . . . 0.0 109.816 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -77.07 -53.57 7.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.277 -0.889 . . . . 0.0 110.874 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -98.65 -22.8 15.74 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.222 -0.924 . . . . 0.0 110.87 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.594 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -90.04 152.13 22.06 Favored Glycine 0 N--CA 1.492 2.405 0 C-N-CA 119.581 -1.295 . . . . 0.0 110.324 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -71.22 154.47 61.71 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.809 2.339 . . . . 0.0 111.999 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.586 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 15.8 m-90 -89.66 124.09 34.28 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.159 -0.963 . . . . 0.0 109.476 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.0 m-20 -134.62 165.12 25.97 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.29 -0.881 . . . . 0.0 109.587 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.9 m -64.03 -31.3 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.375 -0.828 . . . . 0.0 109.237 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 70.0 mtm -58.87 -37.82 77.41 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.393 -0.817 . . . . 0.0 109.516 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.2 -38.62 89.86 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.112 -0.993 . . . . 0.0 109.042 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.41 -40.86 95.95 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.311 -0.868 . . . . 0.0 109.075 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.651 ' NH2' ' NH1' ' A' ' 7' ' ' ARG . 41.5 mtp180 -61.69 -39.69 92.33 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.427 -0.795 . . . . 0.0 109.432 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.523 ' HG ' ' N ' ' A' ' 121' ' ' LEU . 83.4 p -64.49 -35.23 80.28 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.313 -0.867 . . . . 0.0 109.522 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.523 ' N ' ' HG ' ' A' ' 120' ' ' SER . 96.3 mt -65.93 -41.61 91.12 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.307 -0.87 . . . . 0.0 109.504 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -60.98 -41.77 97.05 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.081 -1.012 . . . . 0.0 109.196 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.7 m -68.65 -44.02 75.0 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.237 -0.915 . . . . 0.0 109.684 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 79.2 m -59.93 -47.24 86.58 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.216 -0.928 . . . . 0.0 109.87 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.57 -37.37 74.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 121.149 -0.969 . . . . 0.0 109.229 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.55 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.2 m-20 -61.09 -40.75 94.9 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.349 -0.844 . . . . 0.0 109.585 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.71 -42.0 99.43 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.201 -0.937 . . . . 0.0 109.478 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -72.18 -43.18 64.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.299 -0.875 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.0 p -69.36 -37.62 77.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.186 -0.946 . . . . 0.0 110.233 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.66 ' SG ' ' CD1' ' A' ' 30' ' ' TYR . 76.0 m -68.87 -50.35 50.53 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.051 -1.031 . . . . 0.0 110.026 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 79.9 mt -69.05 -48.75 67.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.37 0 O-C-N 121.221 -0.924 . . . . 0.0 109.799 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 136' ' ' LYS . 43.3 tp -60.67 -41.24 94.68 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.378 -0.826 . . . . 0.0 110.005 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -60.33 -49.14 78.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.213 -0.93 . . . . 0.0 110.148 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.7 tp -63.73 -43.16 97.32 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.079 -1.013 . . . . 0.0 109.808 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.524 ' CH2' ' OE2' ' A' ' 87' ' ' GLU . 97.3 m95 -86.87 -3.1 59.03 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.252 -0.905 . . . . 0.0 110.307 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.4 OUTLIER -51.97 -34.86 44.22 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.109 -0.994 . . . . 0.0 110.217 -179.247 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.19 -27.11 68.74 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.065 -1.022 . . . . 0.0 109.083 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -90.83 -0.97 57.87 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.376 -0.827 . . . . 0.0 110.132 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.7 mm -104.12 142.71 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.172 -0.955 . . . . 0.0 109.56 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.481 ' OG ' ' OG ' ' A' ' 143' ' ' SER . 54.4 p -77.8 155.42 31.12 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.27 -0.893 . . . . 0.0 108.867 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -54.4 -44.34 72.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.104 -0.997 . . . . 0.0 109.789 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.0 m -70.24 -43.12 71.23 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.97 -1.081 . . . . 0.0 109.388 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.481 ' OG ' ' OG ' ' A' ' 140' ' ' SER . 50.1 m -58.74 -38.27 78.03 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.13 -0.981 . . . . 0.0 108.506 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.73 -38.61 91.58 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -55.74 -42.72 75.8 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.439 -0.788 . . . . 0.0 109.459 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 86.0 p -65.16 -45.46 84.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.283 -0.886 . . . . 0.0 109.462 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 49.9 mt -67.07 -41.42 86.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.221 -0.925 . . . . 0.0 108.935 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.608 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -64.62 -34.89 79.34 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.016 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -58.85 -44.8 91.09 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.395 -0.816 . . . . 0.0 108.844 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -60.21 -41.46 93.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.173 -0.954 . . . . 0.0 108.663 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.7 -41.84 89.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.531 -0.731 . . . . 0.0 109.034 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -59.14 -38.04 78.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.848 . . . . 0.0 109.256 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.39 -43.83 98.2 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.151 -0.968 . . . . 0.0 109.385 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 74.7 m -66.43 -50.98 61.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.137 -0.977 . . . . 0.0 109.108 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -64.38 -37.21 86.7 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.359 -0.838 . . . . 0.0 109.63 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 12.2 mt -58.3 -47.5 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.236 -0.915 . . . . 0.0 110.091 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.586 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 69.1 t80 -62.84 -40.63 98.03 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 47.5 tp -59.96 -41.16 91.3 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.717 -0.615 . . . . 0.0 109.634 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.3 t -63.27 -42.31 99.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.231 -0.918 . . . . 0.0 109.98 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.541 ' HZ2' ' CA ' ' A' ' 167' ' ' GLY . 55.7 mtmt -61.4 -39.59 91.3 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.121 -0.987 . . . . 0.0 109.487 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 9.6 mp -66.26 -35.66 80.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.077 -1.014 . . . . 0.0 109.148 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.42 81.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.276 -0.89 . . . . 0.0 109.097 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -81.42 -12.59 58.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.282 -0.886 . . . . 0.0 109.114 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.56 -2.29 70.18 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -94.81 140.63 29.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.266 -1.138 . . . . 0.0 109.646 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 37.8 mm -116.52 134.37 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.495 -0.753 . . . . 0.0 109.39 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.541 ' CA ' ' HZ2' ' A' ' 160' ' ' LYS . . . . . . . . 0 N--CA 1.491 2.33 0 CA-C-O 117.961 -1.466 . . . . 0.0 109.549 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 18.1 m120 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.95 154.45 93.69 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.326 -0.859 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -44.43 142.33 4.57 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.334 2.023 . . . . 0.0 112.197 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -59.19 145.61 42.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.28 -0.888 . . . . 0.0 109.478 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 84.9 mt -55.17 -38.37 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.158 -0.964 . . . . 0.0 109.215 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -57.88 -26.56 62.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.325 -0.86 . . . . 0.0 109.5 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -55.22 -25.0 30.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.34 -0.85 . . . . 0.0 109.782 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -56.59 -32.2 65.01 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.107 -0.996 . . . . 0.0 109.241 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.82 -25.67 68.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.38 -0.825 . . . . 0.0 109.589 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 55.6 t -51.7 -43.44 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.164 -0.96 . . . . 0.0 109.902 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -117.72 150.7 38.65 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.365 -0.834 . . . . 0.0 109.402 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 75.9 t -75.27 -41.7 43.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.534 -0.729 . . . . 0.0 109.877 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -59.28 -36.41 75.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.009 -1.057 . . . . 0.0 110.399 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -58.36 -46.34 86.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.092 -1.005 . . . . 0.0 110.826 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.38 -43.64 73.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.096 -1.002 . . . . 0.0 110.436 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -58.85 -42.13 88.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.726 -1.234 . . . . 0.0 109.746 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.79 -37.73 88.6 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.159 -0.963 . . . . 0.0 109.247 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.39 -41.13 93.18 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.246 -0.909 . . . . 0.0 108.943 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -62.55 -40.03 95.5 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.0 109.267 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 39.4 tp -60.11 -39.52 86.47 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.381 -0.824 . . . . 0.0 109.374 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.86 89.64 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.187 -0.946 . . . . 0.0 109.138 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.15 -35.35 80.82 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.285 -0.885 . . . . 0.0 109.199 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . 0.489 ' HE ' ' CD2' ' A' ' 53' ' ' LEU . 68.0 mtp85 -62.28 -41.8 98.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.875 . . . . 0.0 109.341 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 35.8 tp -62.93 -45.18 93.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.205 -0.934 . . . . 0.0 109.129 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -64.59 -39.7 94.19 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.506 -0.746 . . . . 0.0 109.555 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -68.22 -42.16 80.2 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.231 -0.918 . . . . 0.0 109.239 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 202' ' ' LEU . . . . . 0.405 ' CD1' ' HZ1' ' A' ' 60' ' ' LYS . 17.7 tp -62.32 -37.51 85.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.284 -0.885 . . . . 0.0 109.228 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -87.85 -7.91 56.58 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.334 -0.854 . . . . 0.0 109.516 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 CA-C-O 117.942 -1.477 . . . . 0.0 109.571 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.42 88.85 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.163 -0.961 . . . . 0.0 109.078 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -63.6 -37.41 87.21 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.237 -0.915 . . . . 0.0 109.024 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -56.24 -42.65 77.67 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.98 95.44 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.57 97.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.341 -0.849 . . . . 0.0 109.202 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -60.33 -38.2 83.01 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.191 -0.943 . . . . 0.0 109.066 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.69 -39.8 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.343 -0.848 . . . . 0.0 109.053 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.48 -38.87 81.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.119 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.21 95.2 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.202 -0.999 . . . . 0.0 108.562 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.572 ' HG1' ' N ' ' A' ' 12' ' ' ALA . 3.7 p -68.18 -34.18 75.81 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.572 ' N ' ' HG1' ' A' ' 11' ' ' THR . . . -58.67 -43.51 89.89 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.386 -0.821 . . . . 0.0 108.875 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -62.58 -43.35 99.03 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -61.24 -40.48 94.22 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.353 -0.842 . . . . 0.0 109.126 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.7 -41.25 97.34 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.337 -0.852 . . . . 0.0 109.031 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.486 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 21.5 t70 -58.83 -38.38 78.54 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.355 -0.841 . . . . 0.0 108.828 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -59.87 -30.36 68.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.406 -0.809 . . . . 0.0 108.826 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.9 t -83.85 -9.27 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.438 -0.789 . . . . 0.0 109.491 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.54 16.56 56.71 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' CD1' ' CZ ' ' A' ' 96' ' ' PHE . 67.4 mt -95.85 44.95 1.08 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.306 -1.114 . . . . 0.0 109.151 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.34 -34.66 54.44 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.021 -1.231 . . . . 0.0 110.021 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 mm -59.77 -48.72 86.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.026 -1.279 . . . . 0.0 109.394 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.7 mm -63.61 -43.36 98.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.307 -0.87 . . . . 0.0 108.895 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.9 -38.43 94.08 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.751 -1.339 . . . . 0.0 109.751 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -63.21 -47.54 82.09 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.043 -1.269 . . . . 0.0 110.713 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 44.6 t80 -60.84 -46.07 92.01 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.119 -0.988 . . . . 0.0 111.111 -178.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.32 -34.06 77.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.665 -1.272 . . . . 0.0 110.131 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -59.93 -39.99 87.38 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.69 -1.256 . . . . 0.0 108.071 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.83 -38.15 87.1 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.486 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 85.6 t80 -66.89 -35.76 80.74 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.452 -0.78 . . . . 0.0 109.235 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.69 92.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.315 -0.865 . . . . 0.0 110.211 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.9 p -65.75 -42.4 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.841 -1.162 . . . . 0.0 108.915 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.67 -34.83 76.42 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.894 -1.129 . . . . 0.0 108.823 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 24.2 tp -64.56 -45.1 88.5 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.305 -0.872 . . . . 0.0 109.977 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.59 -46.47 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.102 -0.999 . . . . 0.0 110.356 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.1 mp -62.95 -32.52 73.86 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.361 -0.837 . . . . 0.0 109.855 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.9 m -71.25 -26.37 62.87 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.153 -0.967 . . . . 0.0 109.699 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -67.81 149.94 49.25 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.166 -0.959 . . . . 0.0 110.037 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.06 151.81 14.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.405 -0.81 . . . . 0.0 108.997 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -56.45 137.16 53.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.174 -0.954 . . . . 0.0 109.506 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -122.38 170.23 10.16 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.408 0.623 . . . . 0.0 109.8 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.7 p -58.24 171.23 0.59 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.387 -0.821 . . . . 0.0 109.896 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.35 -27.3 55.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.545 -0.722 . . . . 0.0 110.774 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.09 -41.61 48.57 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.898 -1.126 . . . . 0.0 109.252 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.566 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -63.57 -37.62 87.99 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.212 -0.93 . . . . 0.0 108.649 179.024 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.0 m -59.38 -40.14 85.59 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.38 -0.825 . . . . 0.0 109.103 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.57 98.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.3 -0.875 . . . . 0.0 108.648 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.76 -36.28 83.37 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.352 -0.842 . . . . 0.0 109.048 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.57 97.23 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.301 -0.874 . . . . 0.0 108.857 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.2 m -61.11 -42.85 99.28 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.32 -0.863 . . . . 0.0 108.962 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.4 -40.06 95.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.255 -0.903 . . . . 0.0 108.979 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.1 tp -59.14 -41.62 88.73 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.21 -0.931 . . . . 0.0 109.216 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.2 tp -60.59 -40.72 92.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.28 -0.888 . . . . 0.0 108.753 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -60.25 -39.68 87.6 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.46 -0.775 . . . . 0.0 108.932 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.1 m -60.38 -42.3 95.56 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.633 -0.667 . . . . 0.0 109.7 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.407 HG23 HD13 ' A' ' 56' ' ' ILE . 81.3 mt -58.62 -52.58 58.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.104 -0.998 . . . . 0.0 109.024 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.63 -36.64 84.48 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.62 -33.47 75.73 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -59.35 -54.2 49.49 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.252 -0.905 . . . . 0.0 109.313 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -62.28 -42.84 99.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.171 -0.955 . . . . 0.0 109.388 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -82.97 -2.35 54.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.371 -0.83 . . . . 0.0 110.132 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.596 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.39 -35.49 19.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.115 -0.99 . . . . 0.0 110.008 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.408 ' CD1' ' SD ' ' A' ' 79' ' ' MET . 86.4 mt -68.74 -40.18 81.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.106 -0.996 . . . . 0.0 109.663 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.24 -5.9 83.09 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.105 -1.598 . . . . 0.0 109.105 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.68 -1.68 85.63 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.69 -46.97 80.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.033 -1.275 . . . . 0.0 109.748 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.3 m -67.57 -33.19 74.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.236 -0.915 . . . . 0.0 108.997 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 69' ' ' ALA . 96.9 mt-10 -61.21 -28.73 69.36 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.565 -0.709 . . . . 0.0 109.933 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -37.15 -35.0 0.09 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.497 -0.752 . . . . 0.0 109.953 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' GLU . 77.8 mm-40 -116.0 132.19 56.72 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.395 -0.815 . . . . 0.0 109.11 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 51.87 47.74 24.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.099 -1.0 . . . . 0.0 109.197 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.563 ' HG ' ' N ' ' A' ' 73' ' ' ASP . 79.5 p -58.84 -35.3 72.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.247 -0.908 . . . . 0.0 110.183 -179.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.563 ' N ' ' HG ' ' A' ' 72' ' ' SER . 91.1 m-20 -62.15 -43.84 97.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.087 -1.008 . . . . 0.0 110.166 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -65.84 -42.72 90.17 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.221 -0.924 . . . . 0.0 110.556 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -61.4 -45.4 94.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.044 -1.035 . . . . 0.0 109.948 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 86.4 mt -68.15 -36.91 80.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 109.684 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 67.0 m170 -59.01 -45.2 91.28 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.22 -0.925 . . . . 0.0 110.266 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.0 t -67.98 -50.31 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 110.143 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.408 ' SD ' ' CD1' ' A' ' 63' ' ' ILE . 88.5 mtp -68.45 -46.74 69.0 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.096 -1.003 . . . . 0.0 110.387 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.583 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 54.2 t-20 -65.55 -42.49 91.82 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 110.825 -178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 55.1 m -70.77 -49.26 48.63 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.147 -0.97 . . . . 0.0 111.86 -178.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.2 mt -72.02 -34.14 68.6 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.875 -1.141 . . . . 0.0 111.436 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 89.9 mt -77.71 -35.5 21.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 120.905 -1.122 . . . . 0.0 111.008 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.583 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 79.9 m80 -90.8 -28.32 18.29 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.981 -1.075 . . . . 0.0 111.116 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.571 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 62.2 t0 -88.38 104.52 16.85 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.762 -1.211 . . . . 0.0 109.92 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -62.28 -35.09 77.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.259 -0.901 . . . . 0.0 110.423 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.24 -47.37 85.59 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.982 -1.074 . . . . 0.0 109.187 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.571 ' NZ ' ' OD2' ' A' ' 85' ' ' ASP . 49.6 mttp -70.91 -33.74 70.85 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.325 -0.86 . . . . 0.0 109.031 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.33 -45.5 69.32 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.375 -0.828 . . . . 0.0 109.845 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -62.69 -49.06 76.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.181 -0.949 . . . . 0.0 109.801 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.482 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -68.56 -45.41 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.266 -0.896 . . . . 0.0 109.198 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.482 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 62.5 t80 -62.35 -45.32 93.71 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.194 -0.941 . . . . 0.0 108.629 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CD1' ' A' ' 26' ' ' TYR . 63.8 ttp -70.06 -40.88 74.8 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.472 -0.767 . . . . 0.0 109.633 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.4 tp -61.9 -41.79 98.32 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.058 -1.026 . . . . 0.0 109.609 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -62.61 -47.99 81.38 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.164 -0.96 . . . . 0.0 109.485 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.463 ' CZ ' ' CD1' ' A' ' 20' ' ' LEU . 65.7 t80 -69.71 -46.05 66.86 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.33 -0.856 . . . . 0.0 109.313 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 93' ' ' MET . 28.5 m -58.04 -42.58 85.69 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.452 -0.78 . . . . 0.0 109.553 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.9 ttm -62.89 -41.67 99.5 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.239 -0.913 . . . . 0.0 109.2 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.1 m -64.53 -37.93 89.24 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.387 -0.821 . . . . 0.0 109.677 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.9 tp -62.27 -41.45 98.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.25 -0.906 . . . . 0.0 109.823 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.665 ' CZ ' ' SG ' ' A' ' 154' ' ' CYS . 76.8 t80 -65.44 -46.47 79.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.341 -0.849 . . . . 0.0 110.146 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -61.3 -45.72 93.31 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.155 -0.965 . . . . 0.0 109.908 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.41 -44.8 86.31 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.215 -0.928 . . . . 0.0 109.024 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.703 ' HZ1' ' HG ' ' A' ' 120' ' ' SER . 36.1 ttmt -63.27 -37.99 89.43 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.36 -0.837 . . . . 0.0 108.784 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.2 tp -55.91 -44.77 78.6 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -62.61 -38.04 88.63 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.246 -0.909 . . . . 0.0 108.784 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.6 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.7 mm-40 -60.28 -38.6 84.09 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.399 -0.813 . . . . 0.0 109.303 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.596 ' O ' ' CZ2' ' A' ' 113' ' ' TRP . 62.6 mt -64.81 -37.82 88.9 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.927 -1.108 . . . . 0.0 109.023 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -75.96 -52.8 9.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.392 -0.818 . . . . 0.0 110.844 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -92.76 -22.67 19.22 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.28 -0.888 . . . . 0.0 110.719 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -94.1 155.27 21.84 Favored Glycine 0 N--CA 1.493 2.478 0 C-N-CA 119.576 -1.297 . . . . 0.0 110.09 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -66.72 151.21 83.02 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.915 2.41 . . . . 0.0 111.941 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.596 ' CZ2' ' O ' ' A' ' 108' ' ' LEU . 20.2 m-90 -96.54 123.84 40.33 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.239 -0.913 . . . . 0.0 109.674 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 89.3 m-20 -135.03 171.86 13.83 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.421 -0.799 . . . . 0.0 109.33 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -63.75 -32.49 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.244 -0.91 . . . . 0.0 109.522 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.41 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 70.2 mtm -59.88 -38.27 81.73 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.294 -0.879 . . . . 0.0 109.385 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.5 mm? -65.35 -38.51 90.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.166 -0.958 . . . . 0.0 109.104 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -58.78 -42.95 90.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.914 . . . . 0.0 109.148 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -63.12 -39.99 96.31 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.325 -0.859 . . . . 0.0 109.522 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.703 ' HG ' ' HZ1' ' A' ' 104' ' ' LYS . 78.6 p -65.1 -35.31 80.72 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.276 -0.89 . . . . 0.0 109.618 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.85 -41.23 91.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.295 -0.878 . . . . 0.0 109.649 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -63.02 -40.96 99.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.074 -1.017 . . . . 0.0 109.613 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 74.4 m -69.23 -43.79 73.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 0.0 110.128 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.663 ' SG ' ' NZ ' ' A' ' 104' ' ' LYS . 67.5 m -65.13 -49.95 67.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.186 -0.946 . . . . 0.0 110.223 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.77 -44.08 96.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.085 -1.01 . . . . 0.0 109.681 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.427 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.2 m-20 -60.69 -38.59 85.46 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.221 -0.924 . . . . 0.0 109.388 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 38.8 tp -61.28 -42.53 98.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.406 -0.809 . . . . 0.0 109.584 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -66.18 -43.47 86.74 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.234 -0.916 . . . . 0.0 109.031 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 t -61.56 -36.77 81.55 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.343 -0.848 . . . . 0.0 109.246 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.486 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 73.3 m -60.97 -43.77 98.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.303 -0.873 . . . . 0.0 109.235 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.39 -50.41 79.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 121.255 -0.903 . . . . 0.0 110.008 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 136' ' ' LYS . 8.8 mp -67.45 -37.08 82.43 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.358 -0.838 . . . . 0.0 110.209 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -59.21 -50.16 75.09 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.192 -0.943 . . . . 0.0 110.525 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.8 tp -69.56 -43.98 71.81 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.063 -1.023 . . . . 0.0 109.702 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -87.06 4.57 41.51 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.409 -0.807 . . . . 0.0 110.04 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.9 OUTLIER -49.61 -39.91 37.2 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.238 -0.914 . . . . 0.0 109.627 -179.562 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.64 -26.14 66.92 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.16 -0.962 . . . . 0.0 110.149 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -89.12 -4.98 58.12 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.032 -1.043 . . . . 0.0 110.639 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.6 mt -112.87 145.62 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.215 -0.928 . . . . 0.0 109.531 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 54.8 p -77.81 154.98 31.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.337 -0.852 . . . . 0.0 109.37 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.25 -39.8 80.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.282 -0.886 . . . . 0.0 109.881 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.0 m -70.57 -45.35 65.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.852 -1.155 . . . . 0.0 109.759 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.6 m -63.35 -47.68 81.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.174 -0.953 . . . . 0.0 109.461 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.412 ' CG2' ' N ' ' A' ' 145' ' ' ASN . 0.6 OUTLIER -61.89 -38.73 89.44 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.27 -0.894 . . . . 0.0 108.714 179.563 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . 0.458 ' C ' HD21 ' A' ' 145' ' ' ASN . 0.2 OUTLIER -55.57 -43.62 76.08 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.307 -0.871 . . . . 0.0 109.293 179.73 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.2 m -60.95 -46.69 89.7 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.22 -0.925 . . . . 0.0 109.297 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 6.6 mp -61.77 -38.52 88.35 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.611 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -61.66 -36.58 81.22 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.364 -0.835 . . . . 0.0 108.813 179.172 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -60.79 -39.9 90.6 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.23 -0.919 . . . . 0.0 109.068 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -60.92 -40.51 93.45 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.016 -1.052 . . . . 0.0 108.267 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 88.9 mt -62.01 -37.83 79.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -57.67 -41.07 80.79 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -58.3 -41.89 85.43 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . 0.665 ' SG ' ' CZ ' ' A' ' 101' ' ' TYR . 55.8 m -65.49 -50.38 65.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.446 -0.784 . . . . 0.0 109.165 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -62.65 -37.65 87.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.252 -0.905 . . . . 0.0 109.55 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 1.9 mt -58.97 -46.46 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.272 -0.892 . . . . 0.0 109.367 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.553 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 61.0 t80 -62.59 -40.06 95.69 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 18.4 tp -59.81 -40.9 89.97 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 121.622 -0.674 . . . . 0.0 109.347 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.0 t -60.91 -41.13 95.52 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.305 -0.872 . . . . 0.0 109.39 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -61.22 -39.88 91.91 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.178 -0.951 . . . . 0.0 108.853 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 72.8 mt -64.78 -34.58 78.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.242 -0.911 . . . . 0.0 108.968 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.11 -36.57 84.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.422 -0.799 . . . . 0.0 109.537 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -81.22 -12.52 59.12 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.116 -0.99 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 87.67 -5.26 85.24 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -96.07 120.56 36.57 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.142 -1.21 . . . . 0.0 109.038 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 9.7 tp -150.83 147.28 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 120.973 -1.079 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.988 0 CA-C-O 117.943 -1.476 . . . . 0.0 109.697 179.374 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 50.1 t30 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.285 0.564 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -67.98 154.35 93.88 Favored Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.218 -0.926 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -46.47 -23.84 2.39 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.272 1.981 . . . . 0.0 111.974 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -98.62 140.94 32.09 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.269 -0.894 . . . . 0.0 109.66 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 71.9 mt -114.01 136.64 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.529 -0.732 . . . . 0.0 109.346 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -83.31 140.38 32.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.169 -0.957 . . . . 0.0 109.422 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -148.84 155.0 40.29 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.21 -0.931 . . . . 0.0 109.538 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 73.1 mttt 56.68 42.0 27.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.441 -0.787 . . . . 0.0 109.467 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -142.06 -36.32 0.42 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.272 -0.892 . . . . 0.0 109.476 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 185' ' ' VAL . . . . . 0.5 ' O ' ' OD1' ' B' ' 188' ' ' ASP . 54.2 t -60.92 -43.03 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.211 -0.931 . . . . 0.0 109.689 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -59.89 -32.59 70.88 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.31 -0.869 . . . . 0.0 110.075 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 61.4 t -58.46 -40.92 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.084 -1.01 . . . . 0.0 109.898 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.657 ' OD1' ' N ' ' B' ' 189' ' ' ASP . 37.6 p30 -64.12 -26.66 68.64 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.81 -1.181 . . . . 0.0 109.548 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 189' ' ' ASP . . . . . 0.657 ' N ' ' OD1' ' B' ' 188' ' ' ASP . 40.2 t0 -60.27 -47.73 84.77 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.027 -1.045 . . . . 0.0 109.784 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.69 -43.02 73.32 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.331 -0.855 . . . . 0.0 110.012 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -58.81 -43.5 90.59 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.887 -1.133 . . . . 0.0 109.698 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.86 -37.0 85.01 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.158 -0.964 . . . . 0.0 109.449 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.76 -41.6 95.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.246 -0.909 . . . . 0.0 109.114 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -62.34 -43.63 98.38 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.343 -0.848 . . . . 0.0 109.243 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 35.8 tp -61.28 -41.09 96.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.336 -0.852 . . . . 0.0 109.451 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.06 88.24 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.243 -0.911 . . . . 0.0 109.312 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -65.27 -35.33 80.7 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.207 -0.933 . . . . 0.0 109.196 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -60.21 -43.6 95.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.311 -0.868 . . . . 0.0 109.258 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.85 -41.15 97.87 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.214 -0.929 . . . . 0.0 109.407 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -59.08 -38.55 79.73 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.282 -0.886 . . . . 0.0 109.268 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.39 88.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.255 -0.903 . . . . 0.0 108.917 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.53 -38.8 85.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.39 -0.819 . . . . 0.0 109.273 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -87.66 -8.88 55.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.375 -0.828 . . . . 0.0 109.408 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 CA-C-O 118.045 -1.42 . . . . 0.0 109.587 179.843 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.44 ' C ' ' OE2' ' A' ' 38' ' ' GLU . 64.9 mtt . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.334 0.588 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.561 ' N ' ' OE2' ' A' ' 38' ' ' GLU . . . -58.82 -38.44 78.66 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.126 -0.984 . . . . 0.0 109.176 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.2 p -63.91 -37.97 89.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.114 -0.991 . . . . 0.0 109.305 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.36 -42.06 90.72 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.66 92.68 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.68 -45.19 95.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.419 -0.801 . . . . 0.0 109.567 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.646 ' NH2' ' SG ' ' A' ' 123' ' ' CYS . 0.1 OUTLIER -60.38 -39.91 88.96 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.229 -0.92 . . . . 0.0 108.719 179.776 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.57 -38.43 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.477 -0.764 . . . . 0.0 109.625 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.71 -40.26 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.131 -0.98 . . . . 0.0 108.688 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.23 -42.92 87.97 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.337 -0.852 . . . . 0.0 109.054 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.77 -33.76 75.46 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.214 -0.929 . . . . 0.0 108.734 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.61 95.39 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.218 -0.926 . . . . 0.0 108.793 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -61.7 -39.91 93.14 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -59.06 -41.36 87.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.426 -0.796 . . . . 0.0 109.303 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.98 -40.04 96.55 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.344 -0.848 . . . . 0.0 109.557 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -58.34 -39.54 79.74 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.084 -1.01 . . . . 0.0 108.562 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -61.88 -29.66 70.35 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.494 -0.754 . . . . 0.0 109.02 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -84.01 -11.04 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.483 -0.761 . . . . 0.0 109.541 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.68 14.95 58.97 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.919 -1.273 . . . . 0.0 109.919 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 3.9 mm? -95.44 54.62 1.62 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.215 -1.167 . . . . 0.0 108.975 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.98 -30.65 66.94 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.5 mm -58.44 -48.85 84.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 121.117 -1.225 . . . . 0.0 109.803 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.0 mm -63.3 -42.16 95.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.23 -0.919 . . . . 0.0 108.868 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.23 -42.67 97.36 Favored Glycine 0 N--CA 1.487 2.036 0 N-CA-C 109.866 -1.294 . . . . 0.0 109.866 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -60.85 -48.45 81.75 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.945 -1.327 . . . . 0.0 110.596 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 48.2 t80 -67.25 -45.21 77.35 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.956 -1.09 . . . . 0.0 110.551 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.488 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -68.79 -36.47 78.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.975 -1.078 . . . . 0.0 110.408 -178.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' NE2' ' CG2' ' A' ' 55' ' ' THR . 90.7 mt-30 -61.76 -40.48 95.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.684 -1.26 . . . . 0.0 108.797 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.8 mt -62.01 -39.01 90.81 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -66.44 -35.89 81.42 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.179 -0.95 . . . . 0.0 109.167 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.6 93.48 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.363 -0.835 . . . . 0.0 110.263 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.66 -41.91 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.824 -1.172 . . . . 0.0 109.017 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.45 -34.87 76.15 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.969 -1.082 . . . . 0.0 108.775 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.4 tp -64.33 -45.4 88.01 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.309 -0.869 . . . . 0.0 109.948 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.479 ' CG2' ' SD ' ' A' ' 45' ' ' MET . 82.5 mt -61.31 -44.65 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.243 -0.91 . . . . 0.0 110.467 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.405 ' N ' ' CD1' ' A' ' 36' ' ' LEU . 6.3 mp -62.65 -32.68 73.77 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.365 -0.834 . . . . 0.0 110.061 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.1 p -71.54 -25.71 62.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.01 -1.057 . . . . 0.0 109.748 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.561 ' OE2' ' N ' ' A' ' 2' ' ' ALA . 98.8 mt-10 -69.17 149.97 48.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.289 -0.882 . . . . 0.0 110.296 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.19 151.53 15.44 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -57.03 135.95 56.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -0.998 . . . . 0.0 109.637 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -122.36 170.97 9.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.735 -0.603 . . . . 0.0 109.53 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.9 t -56.82 171.85 0.3 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.298 -0.876 . . . . 0.0 109.813 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.99 -28.09 55.69 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.515 -0.74 . . . . 0.0 110.88 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.49 -44.44 55.88 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.689 -1.257 . . . . 0.0 109.198 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.576 ' O ' ' SD ' ' A' ' 45' ' ' MET . 7.4 tmm? -66.01 -38.06 87.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.18 -0.95 . . . . 0.0 108.751 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.9 m -59.43 -40.12 85.75 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.318 -0.864 . . . . 0.0 109.128 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.85 99.68 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.319 -0.863 . . . . 0.0 108.875 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.17 -36.92 85.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.368 -0.832 . . . . 0.0 109.242 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.52 97.66 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.266 -0.896 . . . . 0.0 109.125 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 m -61.87 -41.48 97.91 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.284 -0.885 . . . . 0.0 109.451 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.95 -42.48 99.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.24 -0.913 . . . . 0.0 109.492 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.6 tp -59.61 -41.87 91.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.189 -0.944 . . . . 0.0 109.22 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.8 tp -61.69 -38.45 87.86 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.29 -0.881 . . . . 0.0 108.941 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -59.39 -40.66 87.27 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.448 ' CG2' ' NE2' ' A' ' 28' ' ' GLN . 45.6 m -60.57 -42.9 97.6 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.551 -0.718 . . . . 0.0 109.293 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.7 mt -62.36 -53.09 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.296 -0.877 . . . . 0.0 109.453 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -61.73 -38.88 89.55 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.216 -0.927 . . . . 0.0 108.529 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.592 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.87 -30.96 68.54 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.469 -0.769 . . . . 0.0 108.996 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -58.9 -54.41 47.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.243 -0.911 . . . . 0.0 109.538 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -63.02 -41.67 99.6 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.007 -1.058 . . . . 0.0 109.455 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -82.53 -2.79 54.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.319 -0.863 . . . . 0.0 109.9 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.6 tt0 -49.75 -35.27 21.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.241 -0.912 . . . . 0.0 109.75 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -77.64 -40.84 28.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.173 -0.954 . . . . 0.0 109.829 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.76 2.61 51.88 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.97 -8.25 67.71 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -68.01 -45.47 73.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.272 -1.134 . . . . 0.0 109.65 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.2 t -61.37 -31.39 71.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.365 -0.834 . . . . 0.0 109.338 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.26 -31.72 67.69 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.288 -0.882 . . . . 0.0 109.167 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' GLU . . . -55.86 149.51 14.75 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.064 -1.022 . . . . 0.0 109.323 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 69' ' ' ALA . 66.3 mm-40 59.0 115.18 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.45 -0.781 . . . . 0.0 109.899 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 53.08 47.33 24.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.224 -0.922 . . . . 0.0 109.587 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.4 p -60.41 -35.42 75.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.18 -0.95 . . . . 0.0 110.175 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.06 -44.11 97.88 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.938 -1.101 . . . . 0.0 110.054 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -69.11 -43.94 73.44 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.19 -0.944 . . . . 0.0 110.765 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.473 ' HG ' ' N ' ' A' ' 76' ' ' LEU . 85.8 p -64.15 -42.28 96.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.088 -1.007 . . . . 0.0 110.117 -179.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.473 ' N ' ' HG ' ' A' ' 75' ' ' SER . 95.3 mt -68.24 -37.67 81.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.298 -0.876 . . . . 0.0 109.84 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.42 ' O ' ' OG1' ' A' ' 81' ' ' THR . 76.1 t60 -61.02 -45.69 93.78 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.311 -0.868 . . . . 0.0 110.142 -179.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.0 t -68.99 -49.56 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.053 -1.029 . . . . 0.0 110.063 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.6 mmm -67.78 -46.49 71.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.162 -0.961 . . . . 0.0 110.36 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.597 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 58.3 t-20 -69.35 -46.39 67.11 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.167 -0.958 . . . . 0.0 111.634 -178.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 37.2 m -65.61 -49.07 70.09 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.037 -1.039 . . . . 0.0 112.071 -177.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.6 mt -70.82 -34.04 71.3 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.912 -1.117 . . . . 0.0 111.347 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.4 mt -79.26 -42.32 23.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 120.839 -1.163 . . . . 0.0 111.332 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.597 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 66.9 m80 -74.75 -47.93 28.47 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.11 -0.994 . . . . 0.0 111.57 -178.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -83.0 112.41 19.74 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.837 -1.164 . . . . 0.0 110.237 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.84 -37.51 84.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.5 -0.75 . . . . 0.0 110.304 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.36 -41.49 93.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.144 -0.973 . . . . 0.0 109.647 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -62.82 -32.15 73.29 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.246 -0.909 . . . . 0.0 108.702 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.08 -44.87 64.85 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.368 -0.832 . . . . 0.0 110.077 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -63.42 -48.81 76.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.003 -1.061 . . . . 0.0 110.511 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.6 pp -62.4 -41.16 90.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.018 -1.051 . . . . 0.0 108.596 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.417 ' HH ' ' CD1' ' A' ' 20' ' ' LEU . 67.4 t80 -62.77 -45.6 91.91 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 79.6 mtp -68.0 -40.7 83.0 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.378 -0.826 . . . . 0.0 109.792 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.2 tp -60.41 -40.39 90.79 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.148 -0.97 . . . . 0.0 108.771 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -62.31 -43.36 99.0 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.411 -0.806 . . . . 0.0 109.245 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -64.13 -42.73 96.7 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.503 -0.748 . . . . 0.0 109.595 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.1 p -61.4 -41.88 97.84 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.254 -0.904 . . . . 0.0 109.824 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 95.8 mmm -62.99 -42.59 99.88 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.19 -0.944 . . . . 0.0 109.457 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.581 ' HG ' ' N ' ' A' ' 100' ' ' LEU . 84.9 p -75.31 -38.7 60.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.248 -0.908 . . . . 0.0 109.462 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.581 ' N ' ' HG ' ' A' ' 99' ' ' SER . 29.3 tp -69.01 -43.57 74.53 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.313 -0.867 . . . . 0.0 109.761 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.555 ' OH ' ' SG ' ' A' ' 154' ' ' CYS . 76.7 t80 -63.21 -45.43 91.73 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.304 -0.872 . . . . 0.0 109.962 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -59.79 -41.83 92.04 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.249 -0.907 . . . . 0.0 109.716 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -61.67 -41.23 97.26 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 109.674 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.582 ' NZ ' ' O ' ' A' ' 120' ' ' SER . 25.8 mttt -61.59 -41.23 97.13 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.113 -0.992 . . . . 0.0 109.933 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.32 -43.2 92.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.054 -1.029 . . . . 0.0 109.089 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -63.16 -38.6 91.8 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.277 -0.89 . . . . 0.0 109.469 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.59 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.0 mt-30 -62.22 -40.01 94.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.916 . . . . 0.0 109.979 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 68.2 mt -65.67 -38.43 89.29 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.021 -1.05 . . . . 0.0 109.304 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -78.16 -52.98 7.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.871 . . . . 0.0 110.21 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -83.57 -23.05 32.14 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.39 -0.819 . . . . 0.0 110.503 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -105.51 155.39 16.93 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 110.209 -1.156 . . . . 0.0 110.209 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -67.78 154.12 73.95 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.868 2.379 . . . . 0.0 111.93 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.589 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 23.8 m-90 -89.83 117.31 28.57 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.264 -0.897 . . . . 0.0 109.565 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 88.1 m-20 -135.08 170.08 16.45 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.327 -0.858 . . . . 0.0 109.367 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.7 m -64.15 -32.09 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.223 -0.923 . . . . 0.0 109.526 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.9 mtm -59.52 -38.33 80.71 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.303 -0.873 . . . . 0.0 109.575 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.5 mm? -65.25 -37.92 88.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.168 -0.957 . . . . 0.0 108.957 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -59.87 -42.05 92.87 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.341 -0.849 . . . . 0.0 109.271 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -63.07 -42.28 99.63 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.306 -0.871 . . . . 0.0 109.368 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.582 ' O ' ' NZ ' ' A' ' 104' ' ' LYS . 22.6 m -62.89 -39.85 95.76 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.369 -0.832 . . . . 0.0 109.469 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 23.6 tp -61.81 -42.23 98.76 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.396 -0.815 . . . . 0.0 109.398 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -60.49 -38.26 83.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.162 -0.961 . . . . 0.0 109.165 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.646 ' SG ' ' NH2' ' A' ' 7' ' ' ARG . 74.0 m -61.8 -44.28 97.18 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.254 -0.904 . . . . 0.0 109.367 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -47.81 82.79 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.211 -0.93 . . . . 0.0 109.499 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.7 mt -60.08 -36.81 69.93 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.148 -0.97 . . . . 0.0 108.711 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.75 -40.63 88.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.306 -0.871 . . . . 0.0 109.269 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.565 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 83.5 mt -62.14 -41.6 98.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.221 -0.924 . . . . 0.0 109.138 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -68.82 -42.6 77.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.306 -0.871 . . . . 0.0 109.905 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.3 t -61.85 -42.97 99.69 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.241 -0.912 . . . . 0.0 110.487 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.565 ' SG ' ' O ' ' A' ' 127' ' ' LEU . 29.3 p -68.75 -49.65 57.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.038 -1.039 . . . . 0.0 110.487 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.515 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 85.5 mt -63.41 -50.48 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 O-C-N 120.962 -1.086 . . . . 0.0 110.393 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 136' ' ' LYS . 90.9 mt -64.68 -38.82 92.3 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -0.892 . . . . 0.0 110.342 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -59.4 -49.52 77.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.115 -0.991 . . . . 0.0 110.177 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 37.4 tp -66.0 -42.78 89.29 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.079 -1.013 . . . . 0.0 109.618 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -87.03 0.08 55.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.394 -0.816 . . . . 0.0 110.344 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.0 OUTLIER -52.73 -36.56 57.78 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.061 -1.024 . . . . 0.0 110.078 -179.297 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -62.45 -25.69 68.11 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.183 -0.948 . . . . 0.0 109.247 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -89.62 -3.66 58.17 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.306 -0.871 . . . . 0.0 109.964 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.7 mm -105.38 141.19 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.218 -0.926 . . . . 0.0 109.376 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 48.9 m -77.33 155.23 32.13 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -54.62 -43.24 72.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.961 -1.087 . . . . 0.0 109.404 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 29.8 m -70.76 -43.29 69.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.941 -1.099 . . . . 0.0 108.714 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 44.0 m -59.08 -37.84 78.07 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.433 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -62.71 -39.0 92.64 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.774 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . 0.411 ' N ' HG23 ' A' ' 144' ' ' THR . 20.1 t-20 -57.67 -41.63 81.94 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.499 -0.75 . . . . 0.0 109.226 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 18.8 t -61.91 -50.92 70.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.37 -0.831 . . . . 0.0 109.537 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 51.9 mt -64.79 -43.51 92.96 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.232 -0.917 . . . . 0.0 108.812 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.596 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -64.94 -33.32 75.75 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.094 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -60.18 -45.21 93.9 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.261 -0.9 . . . . 0.0 109.22 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -61.48 -42.6 99.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.135 -0.978 . . . . 0.0 108.619 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 89.5 mt -61.2 -39.76 83.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -57.93 -40.05 79.52 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -58.4 -43.24 88.48 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . 0.555 ' SG ' ' OH ' ' A' ' 101' ' ' TYR . 7.2 m -62.09 -50.51 71.64 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -62.48 -33.94 75.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.333 -0.855 . . . . 0.0 109.442 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 17.2 mt -58.03 -49.11 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 O-C-N 121.17 -0.956 . . . . 0.0 110.179 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.589 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 61.8 t80 -63.92 -40.14 95.79 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.05 -1.031 . . . . 0.0 108.306 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 35.9 tp -59.15 -41.47 88.44 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.675 -0.641 . . . . 0.0 109.543 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 85.6 p -64.35 -38.02 89.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.136 -0.978 . . . . 0.0 109.211 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.652 ' HZ3' ' CA ' ' A' ' 167' ' ' GLY . 51.3 mtmt -62.59 -39.23 93.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.148 -0.97 . . . . 0.0 109.207 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.74 -36.9 85.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.079 -1.013 . . . . 0.0 108.741 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.4 -37.18 84.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.351 -0.843 . . . . 0.0 109.154 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -81.87 -10.51 59.28 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.26 -0.9 . . . . 0.0 109.375 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 90.38 2.58 73.3 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -94.61 140.73 29.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.299 -1.118 . . . . 0.0 109.717 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 35.3 mm -115.78 134.75 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.41 -0.806 . . . . 0.0 109.438 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.652 ' CA ' ' HZ3' ' A' ' 160' ' ' LYS . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -67.88 153.88 94.51 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.292 -0.88 . . . . 0.0 109.436 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -58.65 -21.43 55.56 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.658 2.239 . . . . 0.0 112.14 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -96.9 141.01 30.61 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.363 -0.835 . . . . 0.0 109.425 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 180' ' ' ILE . . . . . 0.416 HD12 HG21 ' B' ' 180' ' ' ILE . 74.9 mt -113.34 134.12 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.413 -0.805 . . . . 0.0 109.441 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -88.31 148.68 24.17 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.342 -0.849 . . . . 0.0 109.515 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -61.21 -31.33 71.1 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.279 -0.888 . . . . 0.0 109.451 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -73.72 131.78 41.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.297 -0.877 . . . . 0.0 109.421 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -105.27 139.85 39.3 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.389 -0.819 . . . . 0.0 109.547 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 43.8 t -117.46 136.24 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.427 -0.795 . . . . 0.0 109.495 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -110.16 160.0 16.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.485 -0.76 . . . . 0.0 109.51 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 76.1 t -60.36 -39.47 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.273 -0.892 . . . . 0.0 109.392 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -59.07 -33.73 71.14 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.937 -1.102 . . . . 0.0 109.372 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -58.02 -47.99 81.41 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.344 -0.848 . . . . 0.0 110.563 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -67.91 -39.49 83.58 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.111 -0.993 . . . . 0.0 109.913 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -57.89 -41.62 82.96 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.838 -1.164 . . . . 0.0 109.18 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.95 -38.59 91.45 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.233 -0.917 . . . . 0.0 109.005 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.49 -40.67 92.18 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.346 -0.846 . . . . 0.0 108.962 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -61.67 -40.09 93.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.407 -0.808 . . . . 0.0 109.194 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 24.6 tp -59.43 -42.51 92.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.259 -0.9 . . . . 0.0 109.092 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.29 90.24 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.259 -0.901 . . . . 0.0 109.173 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 197' ' ' GLN . . . . . 0.409 ' HA ' ' HE ' ' B' ' 200' ' ' ARG . 49.8 tt0 -65.23 -35.83 82.26 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.202 -0.936 . . . . 0.0 109.275 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -62.53 -43.03 99.81 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.25 -0.906 . . . . 0.0 109.272 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 4.1 tp -63.33 -45.09 92.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.287 -0.883 . . . . 0.0 109.602 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 200' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' B' ' 197' ' ' GLN . 78.9 mtm180 -60.05 -37.22 79.19 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.144 -0.973 . . . . 0.0 109.022 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.23 80.17 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 23.6 tp -60.49 -39.18 86.76 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.431 -0.793 . . . . 0.0 108.975 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -87.48 -9.78 53.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.364 -0.835 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 CA-C-O 117.975 -1.458 . . . . 0.0 109.522 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.375 0.607 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.477 ' CB ' ' NH1' ' A' ' 41' ' ' ARG . . . -59.56 -36.97 77.22 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.149 -0.97 . . . . 0.0 109.071 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -63.37 -39.84 95.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.209 -0.932 . . . . 0.0 109.186 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -58.16 -44.18 87.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.102 -0.999 . . . . 0.0 108.419 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.69 93.32 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.57 92.5 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.452 -0.78 . . . . 0.0 109.106 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.417 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.33 -42.63 96.05 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.497 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.23 -39.11 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.335 -0.853 . . . . 0.0 109.439 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.85 -39.55 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.248 -0.908 . . . . 0.0 108.692 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.87 91.34 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.388 -0.82 . . . . 0.0 108.919 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -34.05 70.44 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.385 -0.822 . . . . 0.0 108.869 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.04 -46.89 87.08 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.226 -0.921 . . . . 0.0 108.933 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -62.46 -40.46 96.71 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -60.11 -38.73 83.87 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.492 -0.755 . . . . 0.0 109.048 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.11 -44.59 97.12 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.431 -0.793 . . . . 0.0 109.356 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -58.94 -38.93 80.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.0 109.071 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -60.51 -29.72 69.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.473 -0.767 . . . . 0.0 109.418 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.8 t -83.67 -8.81 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.311 -0.868 . . . . 0.0 109.697 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.39 16.91 56.45 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.7 mt -95.58 50.2 1.22 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.273 -1.133 . . . . 0.0 109.026 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.94 -34.66 57.89 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.7 mm -61.63 -52.76 57.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 O-C-N 121.094 -1.239 . . . . 0.0 109.157 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.417 HD12 HG21 ' A' ' 23' ' ' ILE . 21.6 mm -65.64 -41.66 91.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 O-C-N 121.32 -0.862 . . . . 0.0 108.904 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.21 -38.76 93.65 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -65.66 -48.41 72.21 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.202 -1.175 . . . . 0.0 110.75 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 67.7 t80 -63.52 -47.37 81.92 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.036 -1.04 . . . . 0.0 110.886 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 pp -68.12 -30.45 69.6 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.858 -1.151 . . . . 0.0 109.183 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.599 ' NE2' ' CD1' ' A' ' 52' ' ' LEU . 55.8 tp60 -60.1 -41.63 92.95 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.9 mt -61.09 -38.07 84.97 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.498 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 79.8 t80 -63.81 -38.31 90.63 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.282 -0.886 . . . . 0.0 109.538 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.09 -46.17 90.26 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.152 -0.968 . . . . 0.0 110.419 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.4 p -62.26 -37.1 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.786 -1.196 . . . . 0.0 108.858 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.92 -34.73 75.13 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.89 -1.131 . . . . 0.0 108.638 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.418 ' CD2' ' CE2' ' A' ' 30' ' ' TYR . 3.8 mm? -65.7 -42.54 91.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.258 -0.901 . . . . 0.0 109.42 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.9 -48.39 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 O-C-N 121.121 -0.987 . . . . 0.0 110.047 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.2 mp -65.97 -35.04 79.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.23 -0.918 . . . . 0.0 109.384 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -81.37 -0.9 43.37 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.913 . . . . 0.0 109.11 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.474 ' OE2' ' CB ' ' A' ' 2' ' ' ALA . 84.5 tt0 -90.29 149.7 22.23 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.39 -0.819 . . . . 0.0 109.724 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.14 150.56 17.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.389 -0.819 . . . . 0.0 109.549 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -58.4 133.08 55.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.897 . . . . 0.0 109.869 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.477 ' NH1' ' CB ' ' A' ' 2' ' ' ALA . 67.0 mtp180 -121.85 170.73 9.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.72 -0.612 . . . . 0.0 109.582 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.8 p -57.51 171.35 0.45 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.403 -0.811 . . . . 0.0 110.086 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.496 ' O ' ' OG1' ' A' ' 46' ' ' THR . 93.9 mt-30 -56.17 -27.84 55.86 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.636 -0.665 . . . . 0.0 110.878 -178.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -52.03 -41.15 62.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.698 -1.251 . . . . 0.0 109.262 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.581 ' O ' ' SD ' ' A' ' 45' ' ' MET . 4.5 tmm? -66.85 -37.87 85.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.109 -0.995 . . . . 0.0 109.128 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.554 ' HG1' ' N ' ' A' ' 47' ' ' ALA . 36.3 p -61.09 -37.65 83.48 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.26 -0.9 . . . . 0.0 109.192 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.554 ' N ' ' HG1' ' A' ' 46' ' ' THR . . . -64.52 -44.85 89.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.271 -0.893 . . . . 0.0 108.723 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.43 -37.22 86.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.345 -0.847 . . . . 0.0 109.105 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.14 94.21 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.129 -0.982 . . . . 0.0 108.761 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -60.88 -40.89 94.73 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.322 -0.861 . . . . 0.0 109.133 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.28 -40.81 95.51 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.267 -0.896 . . . . 0.0 109.576 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.599 ' CD1' ' NE2' ' A' ' 28' ' ' GLN . 3.8 mm? -60.47 -43.59 96.76 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.117 -0.989 . . . . 0.0 109.639 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.9 -39.03 90.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.065 -1.022 . . . . 0.0 109.063 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -59.92 -40.58 89.37 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.1 m -60.57 -42.33 96.43 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.6 -0.688 . . . . 0.0 109.536 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 77.7 mt -58.84 -52.01 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.108 -0.995 . . . . 0.0 108.928 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.588 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.6 mt-10 -61.73 -36.39 80.82 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -65.48 -33.41 75.86 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -58.78 -52.21 66.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 108.802 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -61.37 -38.94 88.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.245 -0.91 . . . . 0.0 108.9 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -82.14 -1.12 47.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.377 -0.827 . . . . 0.0 109.459 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.9 tt0 -48.19 -31.78 6.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.305 -0.872 . . . . 0.0 110.556 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.453 ' C ' ' H ' ' A' ' 65' ' ' GLY . 84.8 mt -67.01 -41.34 87.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 120.907 -1.121 . . . . 0.0 109.539 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.9 -5.27 8.06 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 94.08 -6.58 72.66 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.71 -46.77 80.9 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.153 -1.204 . . . . 0.0 109.696 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 70' ' ' GLU . 17.6 m -65.18 -32.58 74.34 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.195 -0.941 . . . . 0.0 108.784 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.04 -28.33 68.98 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.588 -0.695 . . . . 0.0 109.669 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.34 94.23 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.904 -1.122 . . . . 0.0 110.154 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.5 mt-10 -135.14 145.36 47.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.156 -0.965 . . . . 0.0 109.996 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 48.75 42.49 19.84 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.221 -0.925 . . . . 0.0 109.166 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.7 p -63.82 -37.28 86.78 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.322 -0.861 . . . . 0.0 110.156 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.51 -42.48 98.87 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.082 -1.011 . . . . 0.0 109.87 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -66.93 -46.82 73.58 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.255 -0.903 . . . . 0.0 110.798 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.612 ' HG ' ' N ' ' A' ' 76' ' ' LEU . 85.6 p -65.25 -42.69 93.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.946 -1.096 . . . . 0.0 109.872 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.612 ' N ' ' HG ' ' A' ' 75' ' ' SER . 95.5 mt -68.47 -38.12 80.77 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.354 -0.841 . . . . 0.0 109.956 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -59.97 -45.65 91.99 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.418 -0.801 . . . . 0.0 110.29 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.15 -50.21 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.038 -1.039 . . . . 0.0 109.999 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 88.2 mtp -68.61 -46.33 69.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.945 . . . . 0.0 110.618 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.694 ' ND2' ' CE1' ' A' ' 84' ' ' HIS . 18.3 t-20 -65.23 -45.26 85.34 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.197 -0.939 . . . . 0.0 111.042 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.9 m -68.42 -49.03 62.92 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.135 -0.978 . . . . 0.0 111.917 -178.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 60.8 mt -72.76 -33.89 66.64 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.851 -1.156 . . . . 0.0 111.581 -178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.5 mt -79.04 -42.4 23.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 120.867 -1.145 . . . . 0.0 111.09 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.694 ' CE1' ' ND2' ' A' ' 80' ' ' ASN . 80.6 m80 -75.91 -48.18 22.36 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.995 -1.065 . . . . 0.0 110.854 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -82.85 106.27 14.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.853 -1.155 . . . . 0.0 109.776 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.62 -35.66 78.52 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.403 -0.811 . . . . 0.0 109.929 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.66 -43.44 93.94 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.158 -0.964 . . . . 0.0 109.745 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -62.46 -35.85 80.59 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.46 -38.93 71.24 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.181 -0.949 . . . . 0.0 109.51 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -58.48 -48.47 80.67 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.228 -0.92 . . . . 0.0 110.747 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.609 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -72.51 -37.95 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.841 -1.162 . . . . 0.0 109.117 -179.495 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.609 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 59.5 t80 -62.14 -44.44 96.62 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.999 -1.063 . . . . 0.0 108.156 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 69.9 mtm -69.59 -39.28 77.4 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.511 -0.743 . . . . 0.0 109.501 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.438 ' O ' ' OG1' ' A' ' 97' ' ' THR . 34.0 tp -61.47 -41.98 98.08 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 121.179 -0.951 . . . . 0.0 109.425 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -63.22 -43.72 97.29 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.222 -0.924 . . . . 0.0 109.537 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -62.53 -42.96 99.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.242 -0.911 . . . . 0.0 109.662 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 94' ' ' LEU . 66.2 p -58.43 -43.2 88.65 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.265 -0.897 . . . . 0.0 109.849 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 89.2 mtp -63.0 -43.52 98.56 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.21 -0.931 . . . . 0.0 109.373 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.2 p -71.74 -37.65 70.53 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.238 -0.914 . . . . 0.0 109.178 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.0 tp -64.82 -41.91 95.38 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.282 -0.886 . . . . 0.0 109.152 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.668 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 90.1 t80 -61.71 -43.07 99.57 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.4 -0.812 . . . . 0.0 109.811 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -58.54 -41.59 85.89 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.186 -0.947 . . . . 0.0 109.439 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.84 -40.82 96.64 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.347 -0.845 . . . . 0.0 109.621 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -61.74 -40.88 96.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.151 -0.968 . . . . 0.0 109.68 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 80.5 mt -58.51 -45.41 88.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.134 -0.979 . . . . 0.0 108.86 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -61.19 -38.62 87.2 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.135 -0.978 . . . . 0.0 109.613 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -62.5 -41.03 98.54 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.24 -0.912 . . . . 0.0 109.985 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 74.5 mt -65.41 -37.86 88.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.119 -0.988 . . . . 0.0 109.062 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -78.03 -53.04 7.87 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.568 -0.707 . . . . 0.0 110.34 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -82.89 -22.97 33.78 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.44 -0.787 . . . . 0.0 110.438 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.73 155.22 17.82 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -69.03 154.18 71.05 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.807 2.338 . . . . 0.0 111.908 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.584 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 13.8 m-90 -90.51 112.97 24.84 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.256 -0.903 . . . . 0.0 109.761 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.2 m-20 -135.14 173.42 11.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.384 -0.823 . . . . 0.0 109.183 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.415 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.2 m -62.3 -33.1 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.135 -0.978 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.415 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.0 mtm -60.23 -38.03 82.13 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.325 -0.859 . . . . 0.0 109.462 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.6 mm? -64.51 -39.11 93.17 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.125 -0.985 . . . . 0.0 109.155 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -59.66 -42.13 92.16 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.228 -0.92 . . . . 0.0 109.158 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -62.43 -39.24 92.69 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.382 -0.824 . . . . 0.0 109.532 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.6 m -62.01 -40.89 97.23 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.319 -0.863 . . . . 0.0 109.86 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 78.3 mt -63.66 -41.45 98.2 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.262 -0.899 . . . . 0.0 109.457 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -60.81 -37.91 83.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.118 -0.989 . . . . 0.0 109.461 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 77.9 m -63.1 -46.11 88.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.219 -0.926 . . . . 0.0 109.691 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 80.1 m -62.65 -46.28 88.95 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.122 -0.986 . . . . 0.0 109.736 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.51 -38.08 76.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.223 -0.923 . . . . 0.0 109.112 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.561 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 89.9 m-20 -61.56 -40.8 96.04 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.355 -0.84 . . . . 0.0 109.847 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.48 -44.0 97.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.155 -0.966 . . . . 0.0 109.768 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -70.89 -43.04 69.18 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.274 -0.891 . . . . 0.0 109.748 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.468 ' HG ' ' N ' ' A' ' 130' ' ' CYS . 86.1 p -65.46 -34.76 79.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.871 . . . . 0.0 110.053 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' A' ' 126' ' ' ASP . 73.0 m -68.45 -49.69 58.06 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.111 -0.993 . . . . 0.0 109.72 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 82.9 mt -66.93 -47.74 81.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 O-C-N 121.184 -0.948 . . . . 0.0 109.719 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.585 ' O ' ' N ' ' A' ' 136' ' ' LYS . 42.9 tp -61.82 -39.86 93.27 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.392 -0.818 . . . . 0.0 109.872 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -59.84 -49.38 77.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.162 -0.961 . . . . 0.0 109.956 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 34.2 tp -65.58 -42.24 91.96 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.184 -0.948 . . . . 0.0 109.648 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -86.76 -3.27 59.03 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.363 -0.835 . . . . 0.0 110.274 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.585 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -49.8 -38.94 36.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.171 -0.955 . . . . 0.0 109.787 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -64.19 -26.0 68.32 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.193 -0.942 . . . . 0.0 109.428 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -89.66 -3.63 58.15 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.204 -0.935 . . . . 0.0 110.369 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.5 mm -104.92 147.3 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.101 -0.999 . . . . 0.0 109.169 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.642 ' HG ' ' H ' ' A' ' 143' ' ' SER . 55.2 p -77.18 155.36 32.31 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -0.908 . . . . 0.0 109.081 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -58.12 -38.59 76.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.162 -0.961 . . . . 0.0 109.835 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 41.5 m -74.13 -45.22 50.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.811 -1.18 . . . . 0.0 109.61 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.642 ' H ' ' HG ' ' A' ' 140' ' ' SER . 33.1 t -63.32 -45.63 90.41 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.179 -0.95 . . . . 0.0 109.784 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.579 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.8 OUTLIER -63.53 -39.06 93.43 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.002 -1.061 . . . . 0.0 108.747 179.572 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . 0.428 ' N ' ' CG2' ' A' ' 144' ' ' THR . 0.6 OUTLIER -55.73 -42.73 75.78 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.293 -0.879 . . . . 0.0 108.908 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.3 m -61.48 -42.96 99.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.301 -0.874 . . . . 0.0 109.192 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 54.5 mt -61.69 -39.12 90.32 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.609 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -62.36 -35.64 79.77 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.007 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -61.85 -39.75 92.93 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.292 -0.88 . . . . 0.0 109.246 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -62.15 -42.65 99.46 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.078 -1.014 . . . . 0.0 108.288 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 92.4 mt -65.4 -38.42 82.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -58.46 -40.86 83.8 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -58.55 -43.15 89.22 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . 0.668 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 28.7 m -62.03 -50.27 72.69 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -63.38 -33.45 75.57 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.402 -0.811 . . . . 0.0 109.516 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 14.6 mt -57.93 -48.81 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 O-C-N 121.21 -0.931 . . . . 0.0 109.813 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.584 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 73.2 t80 -63.7 -42.26 98.01 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 40.6 tp -60.79 -41.34 95.41 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.722 -0.611 . . . . 0.0 109.414 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.4 t -62.81 -40.86 98.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.301 -0.875 . . . . 0.0 109.663 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -61.43 -39.06 89.39 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.108 -0.995 . . . . 0.0 109.144 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 8.9 mp -64.58 -35.95 82.65 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.162 -0.961 . . . . 0.0 108.85 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.18 -37.23 84.49 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.338 -0.851 . . . . 0.0 108.947 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -81.85 -10.75 59.22 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.31 -0.869 . . . . 0.0 109.266 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.45 -0.47 71.2 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.8 143.56 26.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.192 -1.181 . . . . 0.0 109.756 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.416 ' O ' ' O ' ' A' ' 167' ' ' GLY . 40.8 mm -117.93 135.92 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.531 -0.73 . . . . 0.0 109.348 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 166' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.272 0 CA-C-O 117.998 -1.445 . . . . 0.0 109.564 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.67 154.91 43.77 Favored Pre-proline 0 N--CA 1.49 1.535 0 O-C-N 121.43 -0.794 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -58.85 145.56 96.28 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.585 2.19 . . . . 0.0 112.182 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.86 144.18 39.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.252 -0.905 . . . . 0.0 109.439 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 69.7 mt -113.92 136.51 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.51 -0.744 . . . . 0.0 109.408 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 23.5 mttm 57.68 46.79 16.8 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.496 -0.752 . . . . 0.0 109.544 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -60.7 -32.2 71.45 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.222 -0.924 . . . . 0.0 109.399 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -57.59 -36.16 71.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.319 -0.863 . . . . 0.0 109.406 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -95.43 140.48 30.24 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.222 -0.924 . . . . 0.0 109.536 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 43.7 t -110.78 142.41 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.438 -0.789 . . . . 0.0 109.433 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -48.95 -36.64 17.91 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.303 -0.873 . . . . 0.0 109.394 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.77 -42.01 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.214 -0.929 . . . . 0.0 109.294 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -61.36 -35.22 76.85 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.007 -1.058 . . . . 0.0 109.561 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -58.76 -46.55 87.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.313 -0.867 . . . . 0.0 110.571 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.22 -40.86 77.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.182 -0.949 . . . . 0.0 110.473 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -58.95 -41.67 87.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.773 -1.205 . . . . 0.0 109.422 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.54 -39.17 91.43 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.191 -0.943 . . . . 0.0 109.095 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -63.17 -39.49 94.8 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.305 -0.872 . . . . 0.0 109.105 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -60.65 -43.68 97.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.332 -0.855 . . . . 0.0 109.357 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.15 -42.38 98.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.26 -0.9 . . . . 0.0 109.127 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.93 92.25 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.258 -0.901 . . . . 0.0 109.077 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.37 -35.45 81.01 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.228 -0.92 . . . . 0.0 109.107 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . 0.588 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 59.9 ttt-85 -61.13 -43.4 98.95 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.235 -0.915 . . . . 0.0 109.131 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 5.5 tp -61.48 -44.28 97.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.359 -0.838 . . . . 0.0 108.891 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -59.17 -37.6 77.74 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.61 -34.81 78.71 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 6.7 tp -59.24 -39.3 82.32 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.453 -0.78 . . . . 0.0 108.914 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -97.02 -0.44 47.3 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.393 -0.817 . . . . 0.0 109.472 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.322 0.582 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.15 78.55 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.202 -0.936 . . . . 0.0 109.066 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -64.02 -38.39 90.89 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.257 -0.902 . . . . 0.0 109.355 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -58.82 -41.21 86.3 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.47 94.31 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.62 95.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.393 -0.817 . . . . 0.0 109.64 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.42 ' CZ ' ' SG ' ' A' ' 123' ' ' CYS . 0.0 OUTLIER -60.43 -42.48 96.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.05 -1.031 . . . . 0.0 108.564 179.732 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.75 -36.67 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.403 -0.81 . . . . 0.0 109.224 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.52 -39.29 80.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.229 -0.919 . . . . 0.0 108.643 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.5 -45.17 84.61 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.275 -0.89 . . . . 0.0 109.056 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -32.69 74.35 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.659 ' CB ' HE21 ' A' ' 28' ' ' GLN . . . -60.0 -43.29 95.28 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.336 -0.853 . . . . 0.0 108.899 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -61.46 -40.97 96.42 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.78 -39.0 83.43 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.425 -0.797 . . . . 0.0 108.908 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -61.26 -42.43 98.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.401 -0.812 . . . . 0.0 109.174 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.82 -38.73 79.31 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.253 -0.905 . . . . 0.0 108.86 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -59.93 -30.85 69.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.499 -0.751 . . . . 0.0 109.08 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.6 t -84.1 -8.72 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.446 -0.784 . . . . 0.0 109.644 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.49 17.1 55.86 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.5 mt -95.72 48.7 1.14 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -1.052 . . . . 0.0 108.953 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.0 -27.9 62.93 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.3 mm -58.17 -54.85 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 120.871 -1.37 . . . . 0.0 109.945 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.8 mp -65.76 -35.07 74.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.093 -1.004 . . . . 0.0 109.451 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.96 -42.64 96.93 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -65.01 -48.77 72.73 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.034 -1.274 . . . . 0.0 110.46 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.489 ' OH ' ' O ' ' A' ' 82' ' ' LEU . 71.5 m-85 -72.08 -41.01 67.85 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.072 -1.018 . . . . 0.0 110.798 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.515 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -67.87 -36.41 80.21 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.808 -1.183 . . . . 0.0 109.404 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.659 HE21 ' CB ' ' A' ' 12' ' ' ALA . 79.3 mm-40 -64.41 -39.72 94.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.895 -1.128 . . . . 0.0 108.924 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.1 mt -60.17 -38.43 83.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.124 -0.985 . . . . 0.0 108.358 178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -65.93 -36.05 82.29 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.28 -0.887 . . . . 0.0 109.264 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.05 -46.02 92.38 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.267 -0.896 . . . . 0.0 110.231 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -64.7 -44.41 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 120.823 -1.173 . . . . 0.0 108.894 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -61.08 -34.66 75.27 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.98 -1.075 . . . . 0.0 108.646 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' O ' ' OG ' ' A' ' 37' ' ' SER . 37.6 tp -63.96 -44.59 92.3 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.321 -0.862 . . . . 0.0 109.809 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.28 -43.05 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.228 -0.92 . . . . 0.0 110.085 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mp -61.16 -31.94 71.67 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.35 -0.844 . . . . 0.0 109.446 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 34' ' ' LEU . 83.9 p -71.52 -23.95 61.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.162 -0.961 . . . . 0.0 109.335 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.92 150.89 48.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.345 -0.847 . . . . 0.0 109.764 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.14 151.43 12.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.324 -0.86 . . . . 0.0 109.013 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -56.93 136.56 55.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.192 -0.943 . . . . 0.0 109.926 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -122.35 170.97 9.41 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.5 m -57.0 170.46 0.44 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.29 -0.881 . . . . 0.0 109.753 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -55.92 -26.17 46.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.551 -0.718 . . . . 0.0 110.842 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.25 -41.86 63.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.728 -1.232 . . . . 0.0 109.328 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.577 ' O ' ' SD ' ' A' ' 45' ' ' MET . 8.4 tmm? -66.14 -38.64 88.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.091 -1.006 . . . . 0.0 108.797 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.5 m -59.53 -40.19 86.39 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.331 -0.855 . . . . 0.0 109.306 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.45 99.62 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.361 -0.837 . . . . 0.0 108.997 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.07 -36.73 84.98 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.413 -0.804 . . . . 0.0 109.319 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.44 98.21 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.255 -0.903 . . . . 0.0 109.187 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.6 m -61.83 -41.4 97.75 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.374 -0.829 . . . . 0.0 109.443 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.6 -41.92 98.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.262 -0.899 . . . . 0.0 109.528 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.5 tp -60.21 -42.26 94.77 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.15 -0.969 . . . . 0.0 109.379 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.4 tp -61.4 -38.93 88.86 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.137 -0.977 . . . . 0.0 108.819 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -59.79 -39.26 84.37 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 59' ' ' PHE . 46.0 m -60.21 -41.97 94.13 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.564 -0.71 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 91.9 mt -58.56 -51.96 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.17 -0.956 . . . . 0.0 108.948 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.527 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.7 mt-10 -63.03 -36.67 84.34 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 178.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.604 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -68.56 -31.37 70.54 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' THR . 58.6 t80 -58.71 -54.05 51.48 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.182 -0.949 . . . . 0.0 109.266 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -61.44 -43.72 98.37 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.116 -0.99 . . . . 0.0 109.511 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -83.19 -1.98 54.39 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.391 -0.818 . . . . 0.0 110.422 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.604 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.7 tt0 -48.93 -35.7 15.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.028 -1.045 . . . . 0.0 110.05 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.435 HD13 HG22 ' A' ' 63' ' ' ILE . 89.1 mt -68.97 -40.95 81.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.081 -1.012 . . . . 0.0 109.916 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.28 -5.43 72.59 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.37 -5.72 82.62 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -66.24 -47.0 75.2 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.125 -1.221 . . . . 0.0 109.903 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m -67.17 -34.23 77.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.233 -0.917 . . . . 0.0 109.192 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' ALA . 96.9 mt-10 -61.92 -29.75 70.43 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.517 -0.739 . . . . 0.0 109.835 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -40.0 -36.08 0.44 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 0.0 109.879 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -111.85 131.82 55.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.445 -0.784 . . . . 0.0 109.149 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 51.82 47.1 25.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 109.216 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 t -57.46 -39.21 75.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.866 . . . . 0.0 110.371 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.483 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 90.8 m-20 -59.71 -43.05 94.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.087 -1.008 . . . . 0.0 110.328 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -65.94 -42.02 90.55 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.133 -0.979 . . . . 0.0 110.386 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.631 ' HG ' ' N ' ' A' ' 76' ' ' LEU . 86.6 p -65.2 -42.66 93.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.015 -1.053 . . . . 0.0 109.997 -179.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.631 ' N ' ' HG ' ' A' ' 75' ' ' SER . 96.3 mt -68.4 -37.98 80.87 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.322 -0.861 . . . . 0.0 109.833 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 65.7 m170 -60.19 -45.2 93.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.281 -0.887 . . . . 0.0 110.448 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.48 -49.8 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.167 -0.958 . . . . 0.0 110.404 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.403 ' SD ' ' CD1' ' A' ' 63' ' ' ILE . 88.6 mtp -68.13 -46.64 70.3 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.137 -0.977 . . . . 0.0 110.959 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.421 ' HA ' ' HD1' ' A' ' 84' ' ' HIS . 15.6 m120 -67.81 -40.24 83.87 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.978 -1.076 . . . . 0.0 111.146 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 90.0 m -69.22 -49.92 52.04 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.053 -1.029 . . . . 0.0 111.887 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.489 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 77.4 mt -74.51 -33.93 62.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.821 -1.174 . . . . 0.0 111.56 -178.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.3 mt -77.08 -35.63 23.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 120.834 -1.166 . . . . 0.0 111.025 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.421 ' HD1' ' HA ' ' A' ' 80' ' ' ASN . 77.3 m80 -89.7 -30.89 17.76 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.869 -1.144 . . . . 0.0 111.167 -178.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -85.64 108.79 18.17 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.747 -1.22 . . . . 0.0 109.737 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -62.09 -39.22 91.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.515 -0.741 . . . . 0.0 111.175 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.69 -47.64 80.36 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.96 -1.088 . . . . 0.0 110.574 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 69.3 mttm -63.23 -32.69 74.16 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.131 -0.981 . . . . 0.0 108.991 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.61 -44.9 80.83 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.332 -0.855 . . . . 0.0 110.221 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.474 ' HZ1' ' CB ' ' A' ' 135' ' ' TRP . 16.6 tttp -63.52 -48.34 77.94 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.973 -1.079 . . . . 0.0 111.215 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.616 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -65.25 -38.66 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.67 -1.269 . . . . 0.0 109.206 -178.816 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.616 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 45.0 t80 -63.34 -43.46 97.65 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.6 mtp -70.42 -42.6 71.4 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.598 -0.689 . . . . 0.0 109.65 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.58 -39.03 89.69 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -60.85 -45.74 93.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.378 -0.826 . . . . 0.0 109.679 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -65.29 -47.2 77.45 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.275 -0.891 . . . . 0.0 109.824 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.1 p -60.99 -40.17 92.44 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.251 -0.906 . . . . 0.0 109.748 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.1 ttp -60.36 -40.14 89.69 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.179 -0.95 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.0 p -64.93 -36.25 83.77 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.315 -0.866 . . . . 0.0 109.654 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.82 -40.3 87.99 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.152 -0.967 . . . . 0.0 109.827 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.496 ' OH ' ' CD2' ' A' ' 153' ' ' TYR . 78.1 t80 -61.42 -48.71 79.96 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.961 -1.087 . . . . 0.0 109.681 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -67.67 -45.74 74.35 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.31 -0.869 . . . . 0.0 110.519 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -65.13 -46.79 79.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.124 -0.985 . . . . 0.0 110.422 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -65.35 -37.1 86.03 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.017 -1.052 . . . . 0.0 109.312 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.7 tp -55.96 -50.51 70.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 0.0 109.499 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -62.14 -39.26 91.98 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.113 -0.992 . . . . 0.0 110.101 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.597 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.2 mt-30 -60.42 -40.48 91.17 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.146 -0.971 . . . . 0.0 109.963 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.42 -37.79 86.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.959 -1.088 . . . . 0.0 109.41 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -75.94 -52.74 9.63 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.373 -0.83 . . . . 0.0 110.313 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -86.12 -22.88 26.85 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.362 -0.836 . . . . 0.0 110.612 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -101.45 155.18 18.98 Favored Glycine 0 N--CA 1.494 2.532 0 C-N-CA 119.666 -1.254 . . . . 0.0 110.272 -179.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -69.28 154.37 69.73 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.942 2.428 . . . . 0.0 112.054 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -92.81 123.92 36.43 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.099 -1.001 . . . . 0.0 109.631 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -134.43 164.37 27.6 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.298 -0.876 . . . . 0.0 108.979 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.419 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.2 m -62.16 -33.1 56.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.073 -1.017 . . . . 0.0 109.146 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.419 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.6 mtm -60.48 -42.86 97.13 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.386 -0.821 . . . . 0.0 109.443 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.55 -37.56 87.06 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.329 -0.857 . . . . 0.0 109.375 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -57.97 -44.42 87.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.285 -0.884 . . . . 0.0 109.031 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -62.67 -38.7 91.36 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.401 -0.812 . . . . 0.0 109.186 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.1 m -61.82 -40.02 93.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.346 -0.846 . . . . 0.0 109.665 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.42 -41.29 96.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.219 -0.926 . . . . 0.0 109.601 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -60.83 -39.5 89.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.098 -1.001 . . . . 0.0 109.583 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.42 ' SG ' ' CZ ' ' A' ' 7' ' ' ARG . 73.9 m -62.33 -43.9 97.75 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.115 -0.99 . . . . 0.0 108.909 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 75.1 m -58.96 -45.4 90.6 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.233 -0.917 . . . . 0.0 109.026 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 95.4 mt -60.61 -36.86 73.14 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 O-C-N 121.331 -0.855 . . . . 0.0 109.261 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -58.6 -41.63 86.27 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.278 -0.889 . . . . 0.0 109.014 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.25 -42.62 99.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.112 -0.993 . . . . 0.0 109.099 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -64.66 -42.49 95.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.15 -0.968 . . . . 0.0 109.394 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.502 ' HG ' ' N ' ' A' ' 130' ' ' CYS . 85.8 p -65.71 -35.44 80.77 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.292 -0.88 . . . . 0.0 109.657 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.502 ' N ' ' HG ' ' A' ' 129' ' ' SER . 0.0 OUTLIER -68.98 -49.88 53.97 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.114 -0.991 . . . . 0.0 109.509 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 77.9 mt -66.84 -45.33 87.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.382 -0.824 . . . . 0.0 109.461 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 16.8 tp -60.71 -41.45 95.24 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.315 -0.865 . . . . 0.0 110.202 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -66.95 -49.55 65.13 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.14 -0.975 . . . . 0.0 111.088 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.65 -46.27 83.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.966 -1.084 . . . . 0.0 110.635 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.474 ' CB ' ' HZ1' ' A' ' 90' ' ' LYS . 5.0 m-90 -87.49 4.94 41.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.168 -0.957 . . . . 0.0 110.479 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -43.18 36.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.047 -1.033 . . . . 0.0 109.893 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.39 -21.71 64.68 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.213 -0.93 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 135' ' ' TRP . 30.8 m-80 -89.57 -4.76 57.72 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.267 -0.895 . . . . 0.0 110.447 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.1 mt -111.72 143.86 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.88 . . . . 0.0 109.856 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.498 ' N ' ' OG ' ' A' ' 143' ' ' SER . 54.6 p -77.73 155.71 31.07 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.4 -0.812 . . . . 0.0 109.517 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.23 -43.16 87.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.21 -0.931 . . . . 0.0 109.835 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 31.0 m -69.89 -43.93 70.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.837 -1.164 . . . . 0.0 108.629 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' A' ' 140' ' ' SER . 79.9 p -60.3 -32.89 71.64 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.26 -38.81 91.47 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 178.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -56.49 -42.82 78.96 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.495 -0.753 . . . . 0.0 109.145 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.3 t -62.53 -51.11 68.71 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.431 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 52.5 mt -64.42 -40.98 96.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.285 -0.884 . . . . 0.0 108.899 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.606 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -65.75 -33.25 75.43 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.19 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.98 -45.1 93.83 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.399 -0.813 . . . . 0.0 109.135 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -62.84 -41.95 99.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.177 -0.952 . . . . 0.0 108.64 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.9 -38.55 80.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -58.35 -40.34 81.96 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . 0.496 ' CD2' ' OH ' ' A' ' 101' ' ' TYR . 71.4 t80 -58.33 -43.2 88.13 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 97.7 m -64.66 -50.15 68.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.376 -0.827 . . . . 0.0 108.836 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -60.65 -36.03 77.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.291 -0.881 . . . . 0.0 108.857 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 17.2 mt -58.52 -43.76 87.7 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 O-C-N 121.398 -0.814 . . . . 0.0 109.731 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.28 -43.75 97.03 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.256 -0.903 . . . . 0.0 109.489 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 80.9 mt -59.95 -38.94 83.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.175 -0.953 . . . . 0.0 109.627 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.0 m -63.16 -43.84 97.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.119 -0.988 . . . . 0.0 109.948 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.403 ' HZ2' ' HA3' ' A' ' 167' ' ' GLY . 54.2 mtmt -62.07 -39.45 92.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.124 -0.985 . . . . 0.0 109.601 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 99.0 mt -63.05 -36.65 84.28 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.178 -0.951 . . . . 0.0 109.083 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.11 -37.44 87.46 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.27 -0.894 . . . . 0.0 109.133 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -82.88 -7.74 59.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.253 -0.905 . . . . 0.0 109.317 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.84 5.84 73.4 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.659 -1.377 . . . . 0.0 109.659 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.56 144.81 25.28 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.269 -1.136 . . . . 0.0 109.752 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 35.3 mm -115.72 135.22 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.511 -0.743 . . . . 0.0 109.383 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.403 ' HA3' ' HZ2' ' A' ' 160' ' ' LYS . . . . . . . . 0 N--CA 1.491 2.317 0 CA-C-O 117.967 -1.463 . . . . 0.0 109.524 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -67.91 153.84 94.6 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.283 -0.886 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -59.3 145.1 98.9 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.59 2.193 . . . . 0.0 112.199 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -101.6 140.87 35.3 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.252 -0.905 . . . . 0.0 109.402 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 83.8 mt -55.79 -41.77 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.234 -0.916 . . . . 0.0 109.531 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -59.38 -35.52 74.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.26 -0.9 . . . . 0.0 109.44 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -62.61 -33.13 74.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.196 -0.94 . . . . 0.0 109.651 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -78.27 130.34 36.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.266 -0.896 . . . . 0.0 109.48 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -110.12 142.51 41.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.447 -0.783 . . . . 0.0 109.628 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 42.7 t -110.46 136.39 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.433 -0.792 . . . . 0.0 109.231 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -73.99 156.11 37.89 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.151 -0.968 . . . . 0.0 109.651 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 187' ' ' VAL . . . . . 0.432 ' CG1' ' NZ ' ' B' ' 191' ' ' LYS . 59.6 t -67.18 -36.75 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.41 -0.807 . . . . 0.0 109.275 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.84 -33.31 64.38 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.078 -1.014 . . . . 0.0 109.865 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -55.79 -49.6 72.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.148 -0.97 . . . . 0.0 110.377 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.18 -38.33 78.61 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.105 -0.997 . . . . 0.0 109.841 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 191' ' ' LYS . . . . . 0.432 ' NZ ' ' CG1' ' B' ' 187' ' ' VAL . 22.7 mttp -57.87 -41.05 81.64 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.864 -1.148 . . . . 0.0 109.337 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.34 -39.99 89.55 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.123 -0.986 . . . . 0.0 109.333 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.69 -41.25 94.76 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.274 -0.891 . . . . 0.0 108.947 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -62.27 -40.18 95.36 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.342 -0.849 . . . . 0.0 109.313 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.04 -42.44 85.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.362 -0.836 . . . . 0.0 109.213 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.67 90.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.258 -0.901 . . . . 0.0 109.228 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -65.32 -35.57 81.38 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.226 -0.922 . . . . 0.0 109.251 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . 0.527 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 73.2 ttt180 -60.58 -42.82 97.44 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.254 -0.904 . . . . 0.0 109.089 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 6.4 tp -61.86 -45.3 94.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 0.0 109.076 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -60.91 -37.08 81.0 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.334 -0.854 . . . . 0.0 109.221 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.96 -37.53 86.23 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.269 -0.895 . . . . 0.0 108.857 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 9.6 tp -60.98 -38.49 86.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.356 -0.84 . . . . 0.0 109.067 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -87.59 -8.49 56.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.26 -0.9 . . . . 0.0 109.482 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 117.995 -1.447 . . . . 0.0 109.532 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mtp . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.345 0.593 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.408 ' CB ' HH11 ' A' ' 41' ' ' ARG . . . -59.2 -39.88 84.02 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.135 -0.978 . . . . 0.0 109.178 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.7 p -64.03 -37.93 89.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.286 -0.884 . . . . 0.0 109.101 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -58.59 -39.35 80.12 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.68 94.21 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.25 -42.97 96.43 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.475 -0.766 . . . . 0.0 109.379 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.426 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.44 -41.29 93.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.168 -0.958 . . . . 0.0 108.803 179.565 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.8 t -63.86 -38.16 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.402 -0.811 . . . . 0.0 109.676 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.45 -39.79 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.219 -0.926 . . . . 0.0 108.695 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.46 94.91 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.347 -0.845 . . . . 0.0 108.848 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -33.75 72.11 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.27 -44.96 84.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.219 -0.926 . . . . 0.0 108.65 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -64.01 -41.16 97.56 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.432 -0.792 . . . . 0.0 109.224 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -59.73 -43.56 94.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.332 -0.855 . . . . 0.0 109.767 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.89 -41.28 97.7 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.349 -0.844 . . . . 0.0 109.587 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.492 ' OD2' ' OE1' ' A' ' 62' ' ' GLU . 55.4 t0 -58.92 -37.96 77.86 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.14 -0.975 . . . . 0.0 108.887 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -60.67 -31.0 70.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.44 -0.787 . . . . 0.0 109.204 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.9 t -84.24 -2.49 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.325 -0.859 . . . . 0.0 109.573 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.3 8.36 68.55 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.4 mt -95.86 33.62 1.65 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.508 -0.995 . . . . 0.0 109.041 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.71 -31.8 16.33 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.4 mm -58.69 -49.06 83.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 121.112 -1.228 . . . . 0.0 109.396 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.6 mm -64.45 -45.14 96.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.21 -0.932 . . . . 0.0 109.011 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.11 -36.56 89.09 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -64.79 -48.0 76.04 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.379 -1.071 . . . . 0.0 111.086 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.6 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 78.9 t80 -62.84 -47.43 83.44 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.968 -1.083 . . . . 0.0 111.172 -178.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.19 -32.08 73.57 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.769 -1.207 . . . . 0.0 108.866 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -60.13 -40.98 91.65 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.71 -37.34 81.38 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.591 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 79.7 t80 -65.26 -36.19 83.34 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.36 -0.838 . . . . 0.0 109.094 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.96 -46.01 92.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.275 -0.89 . . . . 0.0 110.21 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -64.86 -41.96 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 120.81 -1.181 . . . . 0.0 108.861 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.41 -35.28 77.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.898 -1.126 . . . . 0.0 108.81 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.9 tp -63.86 -42.13 97.61 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.421 -0.799 . . . . 0.0 109.786 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.44 -48.1 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.17 -0.956 . . . . 0.0 109.833 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.5 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.6 mp -64.4 -34.55 78.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.363 -0.836 . . . . 0.0 109.266 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.8 m -83.55 -0.16 49.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.228 -0.92 . . . . 0.0 108.767 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -89.19 150.25 22.76 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.606 -0.684 . . . . 0.0 109.629 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.67 150.52 15.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.32 -0.863 . . . . 0.0 109.171 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -57.84 136.09 56.94 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.921 . . . . 0.0 109.967 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.408 HH11 ' CB ' ' A' ' 2' ' ' ALA . 76.5 mtp180 -122.54 169.9 10.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.702 -0.624 . . . . 0.0 109.421 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.2 t -58.07 171.32 0.55 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.239 -0.913 . . . . 0.0 109.901 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.488 ' O ' ' OG1' ' A' ' 46' ' ' THR . 94.4 mt-30 -56.54 -27.71 58.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.517 -0.739 . . . . 0.0 110.571 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.41 -40.13 49.22 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.745 -1.222 . . . . 0.0 109.444 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.574 ' O ' ' SD ' ' A' ' 45' ' ' MET . 10.7 tmm? -64.53 -37.32 87.14 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.177 -0.952 . . . . 0.0 109.353 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' A' ' 43' ' ' GLN . 37.2 p -60.53 -38.52 84.7 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.236 -0.915 . . . . 0.0 109.163 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.62 94.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.239 -0.913 . . . . 0.0 108.704 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.02 -35.79 81.86 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.351 -0.843 . . . . 0.0 109.211 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.73 99.45 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.216 -0.927 . . . . 0.0 109.183 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -61.27 -42.63 98.96 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.216 -0.928 . . . . 0.0 109.015 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.27 -39.12 91.88 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.244 -0.91 . . . . 0.0 108.967 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.7 tp -58.75 -41.61 86.94 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.319 -0.863 . . . . 0.0 109.121 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.3 tp -61.15 -41.57 96.99 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.889 . . . . 0.0 108.781 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -61.06 -39.37 89.59 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.554 ' O ' ' N ' ' A' ' 59' ' ' PHE . 44.2 m -60.17 -40.65 90.71 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.645 -0.659 . . . . 0.0 109.821 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.9 mt -60.99 -55.23 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.194 -0.942 . . . . 0.0 109.551 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.25 -39.13 92.25 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.185 -0.947 . . . . 0.0 108.631 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.7 -30.33 67.95 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 55' ' ' THR . 2.0 t80 -60.29 -54.42 45.97 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.306 -0.871 . . . . 0.0 109.347 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.414 ' NZ ' ' CG2' ' A' ' 83' ' ' ILE . 31.2 mttt -60.2 -45.97 91.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.135 -0.978 . . . . 0.0 109.447 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -83.56 -1.77 54.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.343 -0.848 . . . . 0.0 110.816 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.6 tt0 -48.9 -36.42 17.12 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.935 -1.103 . . . . 0.0 109.81 -178.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 74.3 mt -71.57 -37.62 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.062 -1.024 . . . . 0.0 109.383 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.0 -6.34 35.27 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.19 -5.4 85.19 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -67.93 -47.33 69.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.149 -1.207 . . . . 0.0 109.263 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.7 t -69.39 -42.42 75.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.585 -0.697 . . . . 0.0 109.554 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.601 ' O ' ' N ' ' A' ' 70' ' ' GLU . 78.8 mm-40 -65.23 -34.88 79.42 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.406 -0.809 . . . . 0.0 109.14 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.566 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . 11.06 -76.21 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.202 0 CA-C-O 121.4 0.619 . . . . 0.0 111.711 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.601 ' N ' ' O ' ' A' ' 68' ' ' GLU . 71.9 mm-40 -57.34 135.76 56.53 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.365 -0.834 . . . . 0.0 109.158 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 47.84 45.5 18.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.047 -1.033 . . . . 0.0 108.909 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -57.4 -39.26 75.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.407 -0.808 . . . . 0.0 110.31 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -59.63 -44.17 93.57 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.042 -1.036 . . . . 0.0 109.593 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -62.39 -40.18 95.63 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.262 -0.899 . . . . 0.0 109.324 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.485 ' OG ' ' OE1' ' A' ' 68' ' ' GLU . 20.2 m -60.97 -41.67 96.84 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.306 -0.871 . . . . 0.0 109.881 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.72 -38.81 89.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.151 -0.968 . . . . 0.0 108.916 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.601 ' ND1' ' HG1' ' A' ' 81' ' ' THR . 24.5 t-80 -61.19 -43.51 98.76 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.407 -0.808 . . . . 0.0 109.683 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.19 -49.05 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.205 -0.934 . . . . 0.0 110.028 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 70.9 mtm -66.95 -46.01 76.04 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.994 -1.066 . . . . 0.0 109.812 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.583 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 88.5 m-20 -70.03 -44.17 69.81 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.144 -0.973 . . . . 0.0 110.84 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.601 ' HG1' ' ND1' ' A' ' 77' ' ' HIS . 61.6 m -64.18 -49.09 73.44 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.102 -0.999 . . . . 0.0 111.852 -178.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.1 mt -71.63 -34.3 69.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.781 -1.2 . . . . 0.0 110.853 -178.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.414 ' CG2' ' NZ ' ' A' ' 60' ' ' LYS . 86.3 mt -79.46 -42.1 22.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 O-C-N 121.01 -1.056 . . . . 0.0 111.239 -178.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.583 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 43.0 m80 -67.97 -44.99 75.42 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.961 -1.087 . . . . 0.0 111.506 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -80.09 109.41 14.52 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.755 -1.216 . . . . 0.0 110.271 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.494 ' CG ' ' N ' ' A' ' 87' ' ' GLU . 9.9 pt20 -62.57 -41.88 99.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.6 -0.687 . . . . 0.0 110.721 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' CG ' ' A' ' 86' ' ' GLN . 77.7 mm-40 -64.54 -40.23 95.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.134 -0.979 . . . . 0.0 109.483 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -60.69 -30.89 70.21 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.87 -42.51 69.98 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.452 -0.78 . . . . 0.0 109.015 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -63.18 -48.77 76.98 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.992 -1.067 . . . . 0.0 110.411 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.7 pp -64.15 -40.07 87.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 120.989 -1.07 . . . . 0.0 108.423 -179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -66.99 -46.98 72.91 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.6 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 70.0 mtm -68.38 -38.92 81.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.368 -0.833 . . . . 0.0 109.814 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.1 tp -60.61 -41.42 94.74 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.015 -1.053 . . . . 0.0 108.956 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -63.75 -43.47 96.35 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.349 -0.844 . . . . 0.0 109.202 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -63.61 -43.19 97.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.53 -0.731 . . . . 0.0 109.641 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 50.4 p -62.08 -43.82 98.0 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.234 -0.916 . . . . 0.0 109.784 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 95.9 mmm -64.46 -43.1 95.28 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.219 -0.925 . . . . 0.0 109.242 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.8 t -70.6 -42.45 70.98 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.353 -0.842 . . . . 0.0 109.656 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 31.6 tp -64.7 -40.45 95.39 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.368 -0.832 . . . . 0.0 109.689 -179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.664 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 80.0 t80 -63.0 -44.15 96.81 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.265 -0.897 . . . . 0.0 109.798 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -58.88 -42.1 88.7 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.328 -0.857 . . . . 0.0 109.763 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.45 -38.38 89.56 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.283 -0.886 . . . . 0.0 109.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -63.31 -42.23 99.0 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.215 -0.928 . . . . 0.0 109.668 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 80.9 mt -57.13 -45.68 83.32 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.092 -1.005 . . . . 0.0 109.03 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -61.01 -39.24 88.96 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.227 -0.92 . . . . 0.0 109.293 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.599 ' O ' ' N ' ' A' ' 111' ' ' GLY . 59.2 tp60 -62.63 -41.2 98.89 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.436 -0.79 . . . . 0.0 109.821 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.39 -37.6 88.08 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.009 -1.057 . . . . 0.0 109.927 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -77.85 -52.82 8.28 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.314 -0.866 . . . . 0.0 110.812 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -94.8 -22.72 17.88 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.301 -0.874 . . . . 0.0 110.72 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -94.24 153.11 20.95 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 119.514 -1.327 . . . . 0.0 110.232 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -70.34 154.23 65.62 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.844 2.363 . . . . 0.0 111.944 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.519 ' HE1' ' HH ' ' A' ' 157' ' ' TYR . 23.1 m-90 -90.41 121.97 32.86 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.117 -0.989 . . . . 0.0 109.657 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.5 m-20 -134.7 164.51 27.35 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.302 -0.874 . . . . 0.0 109.348 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.8 m -63.93 -31.65 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.297 -0.877 . . . . 0.0 109.108 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.8 mtm -59.41 -40.11 85.61 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.416 -0.803 . . . . 0.0 109.683 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.11 -37.92 89.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.096 -1.002 . . . . 0.0 109.237 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -61.25 -41.7 97.37 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.257 -0.902 . . . . 0.0 109.397 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -62.17 -43.01 99.78 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.314 -0.866 . . . . 0.0 109.509 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 t -63.99 -37.43 87.4 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.355 -0.841 . . . . 0.0 109.412 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.47 -42.5 96.35 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.378 -0.826 . . . . 0.0 109.037 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -63.63 -40.21 96.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.135 -0.978 . . . . 0.0 109.411 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.547 ' SG ' ' N ' ' A' ' 124' ' ' CYS . 0.1 OUTLIER -65.56 -41.03 93.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.946 . . . . 0.0 109.429 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.547 ' N ' ' SG ' ' A' ' 123' ' ' CYS . 0.1 OUTLIER -62.04 -49.34 76.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.191 -0.943 . . . . 0.0 109.749 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.58 -41.71 88.9 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 O-C-N 121.09 -1.006 . . . . 0.0 109.533 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.562 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.7 m-20 -59.51 -39.55 84.2 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.286 -0.884 . . . . 0.0 109.582 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 53.2 tp -62.54 -46.92 86.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.249 -0.907 . . . . 0.0 109.621 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -71.74 -43.68 65.41 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.318 -0.864 . . . . 0.0 109.699 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.594 ' OG ' ' CE1' ' A' ' 133' ' ' HIS . 11.2 t -64.84 -40.08 94.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.416 -0.803 . . . . 0.0 110.343 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.591 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 77.4 m -66.04 -49.85 66.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.081 -1.012 . . . . 0.0 110.307 -179.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 73.1 mt -60.16 -46.44 94.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.11 -0.994 . . . . 0.0 109.499 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 136' ' ' LYS . 23.0 tp -61.53 -37.45 83.8 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.509 -0.745 . . . . 0.0 109.481 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.594 ' CE1' ' OG ' ' A' ' 129' ' ' SER . 63.6 m170 -57.82 -47.99 81.03 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.299 -0.875 . . . . 0.0 110.226 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.06 -47.19 84.03 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.053 -1.029 . . . . 0.0 109.938 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.452 ' CH2' ' NE2' ' A' ' 86' ' ' GLN . 23.2 m95 -88.94 4.36 48.31 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.41 -0.806 . . . . 0.0 110.589 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 132' ' ' LEU . 1.9 tptp -52.79 -35.36 56.55 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.165 -0.959 . . . . 0.0 109.477 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -63.09 -25.7 68.49 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.166 -0.959 . . . . 0.0 109.286 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -89.55 -1.39 58.02 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.248 -0.907 . . . . 0.0 110.054 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.8 mm -102.76 139.48 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.148 -0.97 . . . . 0.0 109.535 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.489 ' OG ' ' OG ' ' A' ' 143' ' ' SER . 53.8 p -77.86 155.45 30.99 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.329 -0.857 . . . . 0.0 108.952 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.99 -43.89 70.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.08 -1.013 . . . . 0.0 109.749 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 29.3 m -69.94 -43.5 71.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.909 -1.119 . . . . 0.0 109.439 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.489 ' OG ' ' OG ' ' A' ' 140' ' ' SER . 37.8 m -58.92 -40.5 84.72 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.571 ' OG1' ' NE2' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -61.4 -38.66 87.88 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.735 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . 0.41 ' N ' HG23 ' A' ' 144' ' ' THR . 18.5 t-20 -56.7 -41.99 78.35 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.506 -0.746 . . . . 0.0 109.452 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.1 m -62.55 -51.1 68.73 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.236 -0.915 . . . . 0.0 109.591 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 147' ' ' LEU . 9.7 mp -66.21 -42.57 88.57 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.171 -0.955 . . . . 0.0 109.048 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.607 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -63.01 -35.24 79.56 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.319 -0.863 . . . . 0.0 108.735 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -59.51 -43.46 93.38 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -60.34 -39.6 87.68 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.278 -0.889 . . . . 0.0 108.933 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 36.5 mm -61.29 -42.44 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.302 -0.874 . . . . 0.0 109.163 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -58.7 -37.99 77.29 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.176 -0.953 . . . . 0.0 109.111 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -60.83 -43.02 98.81 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.218 -0.926 . . . . 0.0 108.875 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . 0.664 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 33.4 m -67.57 -50.65 57.43 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.341 -0.85 . . . . 0.0 109.043 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -63.45 -35.96 82.16 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.401 -0.812 . . . . 0.0 109.532 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 10.9 mt -58.7 -48.75 84.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 O-C-N 121.27 -0.894 . . . . 0.0 110.045 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.519 ' HH ' ' HE1' ' A' ' 113' ' ' TRP . 68.8 t80 -63.94 -41.18 97.68 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.03 -1.044 . . . . 0.0 108.351 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 39.4 tp -59.01 -41.17 87.09 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.599 -0.688 . . . . 0.0 109.505 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.6 m -61.9 -40.96 97.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.155 -0.965 . . . . 0.0 109.187 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.642 ' HZ3' ' CA ' ' A' ' 167' ' ' GLY . 53.6 mtmt -61.58 -38.67 88.39 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.358 -0.839 . . . . 0.0 109.387 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.03 -36.69 84.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.035 -1.041 . . . . 0.0 108.641 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.58 83.08 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.357 -0.84 . . . . 0.0 108.952 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -81.55 -11.99 58.97 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.339 -0.85 . . . . 0.0 109.371 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.14 1.13 72.95 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -94.76 141.94 28.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.275 -1.132 . . . . 0.0 109.758 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.466 ' O ' ' O ' ' A' ' 167' ' ' GLY . 34.2 mm -115.04 134.56 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.408 -0.808 . . . . 0.0 109.321 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.642 ' CA ' ' HZ3' ' A' ' 160' ' ' LYS . . . . . . . . 0 N--CA 1.49 2.299 0 CA-C-O 117.975 -1.458 . . . . 0.0 109.503 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -67.95 153.8 94.71 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.292 -0.88 . . . . 0.0 109.329 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -58.28 147.1 86.4 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.705 2.27 . . . . 0.0 112.187 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.0 145.18 31.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.314 -0.866 . . . . 0.0 109.518 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 83.8 mt -56.3 -37.98 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.294 -0.879 . . . . 0.0 109.598 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -85.46 139.87 31.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.225 -0.922 . . . . 0.0 109.429 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -69.81 138.94 53.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.257 -0.902 . . . . 0.0 109.592 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -60.3 -32.8 71.55 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.244 -0.91 . . . . 0.0 109.463 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.36 -32.91 62.94 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.277 -0.89 . . . . 0.0 109.7 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 43.2 t -108.17 137.1 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.402 -0.811 . . . . 0.0 109.614 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -100.11 157.85 16.27 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.329 -0.857 . . . . 0.0 109.5 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.57 -42.89 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.323 -0.86 . . . . 0.0 109.833 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.628 ' OD1' ' N ' ' B' ' 189' ' ' ASP . 54.2 p30 -64.0 -29.25 70.42 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.953 -1.092 . . . . 0.0 109.882 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 189' ' ' ASP . . . . . 0.628 ' N ' ' OD1' ' B' ' 188' ' ' ASP . 38.1 t0 -60.34 -46.93 88.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.067 -1.021 . . . . 0.0 110.057 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.34 -42.33 75.45 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.304 -0.873 . . . . 0.0 110.256 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -57.69 -42.62 84.04 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.713 -1.242 . . . . 0.0 109.599 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.25 -38.51 90.57 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.129 -0.982 . . . . 0.0 109.172 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.94 -40.07 94.26 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.221 -0.924 . . . . 0.0 109.058 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -60.89 -43.09 98.97 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 109.44 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 42.9 tp -60.13 -40.41 89.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.292 -0.88 . . . . 0.0 109.455 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.06 94.87 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.227 -0.92 . . . . 0.0 109.032 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -64.95 -34.93 79.6 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.351 -0.843 . . . . 0.0 109.132 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -60.2 -44.12 95.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.25 -0.906 . . . . 0.0 109.132 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 3.3 tp -62.46 -42.4 99.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.263 -0.898 . . . . 0.0 108.96 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -59.0 -36.33 74.72 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.391 -0.818 . . . . 0.0 109.047 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.27 85.96 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 13.2 tp -59.97 -38.98 84.09 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.41 -0.806 . . . . 0.0 108.878 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -87.72 -8.23 56.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.368 -0.833 . . . . 0.0 109.493 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.278 0.561 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.17 -40.45 85.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.19 -0.944 . . . . 0.0 109.206 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -63.44 -38.51 91.43 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.207 -0.933 . . . . 0.0 109.035 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -57.34 -40.04 77.15 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.16 -0.963 . . . . 0.0 108.411 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.52 -39.66 94.2 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.73 88.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.433 -0.792 . . . . 0.0 109.646 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -60.62 -39.7 89.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.066 -1.021 . . . . 0.0 109.323 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.01 -39.72 84.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.279 -0.888 . . . . 0.0 109.442 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.93 -41.62 89.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.167 -0.958 . . . . 0.0 108.492 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.15 80.12 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.336 -0.852 . . . . 0.0 109.056 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -35.37 80.87 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.47 92.8 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.174 -0.954 . . . . 0.0 108.879 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -60.89 -39.31 88.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.341 -0.849 . . . . 0.0 108.732 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -58.06 -41.16 82.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.286 -0.884 . . . . 0.0 109.175 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -62.91 -39.62 95.09 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.331 -0.856 . . . . 0.0 109.365 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -58.22 -39.62 79.52 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.153 -0.967 . . . . 0.0 108.576 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -61.69 -31.11 71.23 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -83.98 -14.17 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.412 -0.805 . . . . 0.0 109.322 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.41 14.99 59.29 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.512 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 3.3 mm? -95.68 54.25 1.52 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.288 -1.124 . . . . 0.0 108.89 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.01 -27.82 62.83 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.349 -1.1 . . . . 0.0 110.349 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.3 mm -58.07 -49.19 82.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.012 -1.287 . . . . 0.0 109.364 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 mm -63.53 -41.77 93.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.79 -40.87 97.24 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.419 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 62.8 t80 -60.62 -48.39 82.0 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.055 -1.262 . . . . 0.0 110.544 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.655 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 48.1 t80 -66.87 -46.92 73.48 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.947 -1.096 . . . . 0.0 110.873 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.48 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -68.41 -36.44 79.11 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.061 -1.024 . . . . 0.0 110.319 -178.733 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.408 HE22 HG22 ' A' ' 55' ' ' THR . 82.5 mt-30 -60.94 -40.4 93.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.65 -1.281 . . . . 0.0 108.802 178.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.419 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 80.2 mt -62.32 -38.75 90.64 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.663 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 72.8 t80 -65.83 -35.99 82.24 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.309 -0.869 . . . . 0.0 109.227 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.54 -45.79 92.69 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.279 -0.888 . . . . 0.0 110.368 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 p -64.7 -41.99 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.838 -1.164 . . . . 0.0 108.936 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.93 -35.33 78.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.99 -1.069 . . . . 0.0 109.003 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.1 tp -63.43 -42.96 98.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.348 -0.845 . . . . 0.0 110.022 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.65 -48.16 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.021 -1.05 . . . . 0.0 109.821 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.517 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.0 mp -66.26 -36.48 83.11 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.255 -0.903 . . . . 0.0 109.541 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.7 p -72.81 -20.77 61.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.16 -0.963 . . . . 0.0 108.514 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.579 ' CD ' ' HE ' ' A' ' 41' ' ' ARG . 82.0 tt0 -85.43 151.31 24.09 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -55.76 150.34 12.99 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.279 -0.888 . . . . 0.0 109.44 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.512 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 47.5 p30 -58.09 136.7 57.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.319 -0.863 . . . . 0.0 110.498 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.579 ' HE ' ' CD ' ' A' ' 38' ' ' GLU . 95.8 mtt-85 -122.89 171.14 9.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.724 -0.61 . . . . 0.0 109.58 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.0 p -57.42 169.4 0.64 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.322 -0.861 . . . . 0.0 110.472 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -56.54 -24.47 47.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.773 -0.579 . . . . 0.0 111.248 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -48.5 -44.26 35.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.635 -1.291 . . . . 0.0 109.527 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -34.37 77.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.918 -1.113 . . . . 0.0 108.982 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.5 m -59.3 -41.47 89.07 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.291 -0.88 . . . . 0.0 109.113 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.67 -43.81 88.17 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.188 -0.945 . . . . 0.0 108.806 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.02 -39.32 89.31 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.41 -0.807 . . . . 0.0 109.069 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.18 90.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.367 -0.833 . . . . 0.0 109.15 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.8 m -60.76 -42.31 97.18 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.332 -0.855 . . . . 0.0 109.105 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.7 -39.73 92.51 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.219 -0.926 . . . . 0.0 109.004 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.57 -40.42 91.62 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.305 -0.872 . . . . 0.0 109.082 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.2 tp -60.69 -40.74 93.28 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.284 -0.885 . . . . 0.0 109.069 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -59.65 -40.42 87.62 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.379 -0.826 . . . . 0.0 108.877 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.408 HG22 HE22 ' A' ' 28' ' ' GLN . 41.3 m -60.57 -43.23 97.54 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.635 -0.666 . . . . 0.0 109.692 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.28 -54.86 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.127 -0.983 . . . . 0.0 109.33 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.65 -37.18 83.09 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.5 -33.65 75.53 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.404 -0.81 . . . . 0.0 108.909 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -59.0 -53.98 52.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.177 -0.952 . . . . 0.0 109.309 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -59.66 -39.04 83.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.188 -0.945 . . . . 0.0 108.923 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -82.33 -1.99 51.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.486 -0.759 . . . . 0.0 109.754 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.7 tt0 -49.08 -32.81 10.33 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.924 . . . . 0.0 110.258 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.548 ' CD1' ' SD ' ' A' ' 79' ' ' MET . 80.8 mt -67.42 -41.64 86.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.053 -1.029 . . . . 0.0 109.59 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.92 -4.11 11.05 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.46 -5.68 70.76 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -63.44 -47.05 83.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.076 -1.249 . . . . 0.0 109.183 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.488 ' O ' ' O ' ' A' ' 70' ' ' GLU . 18.6 m -68.91 -29.86 68.22 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -55.79 -28.92 58.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.604 -0.685 . . . . 0.0 109.484 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.28 96.54 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.999 -1.063 . . . . 0.0 109.953 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.5 mt-10 -134.47 146.03 49.38 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.313 -0.867 . . . . 0.0 109.879 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 49.81 40.23 19.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.251 -0.906 . . . . 0.0 109.228 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.6 p -63.21 -37.68 88.19 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.268 -0.895 . . . . 0.0 109.74 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.584 ' O ' ' CD2' ' A' ' 77' ' ' HIS . 89.9 m-20 -62.76 -41.29 99.16 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.183 -0.948 . . . . 0.0 109.598 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -61.74 -45.76 92.53 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.338 -0.851 . . . . 0.0 110.082 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.7 p -64.09 -41.85 97.15 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.144 -0.972 . . . . 0.0 109.785 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.475 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 98.2 mt -68.69 -37.74 79.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.262 -0.899 . . . . 0.0 110.049 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 50.5 m-70 -59.85 -45.67 91.7 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.112 -0.992 . . . . 0.0 110.3 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.15 -50.13 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.991 -1.068 . . . . 0.0 110.029 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.548 ' SD ' ' CD1' ' A' ' 63' ' ' ILE . 89.6 mtp -68.41 -46.29 70.36 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.171 -0.956 . . . . 0.0 110.401 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.593 ' OD1' ' CE1' ' A' ' 84' ' ' HIS . 27.9 t30 -65.62 -44.26 87.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.239 -0.913 . . . . 0.0 111.196 -178.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 74.6 m -70.12 -49.18 53.38 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.08 -1.013 . . . . 0.0 112.094 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.69 -33.75 66.71 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.871 -1.143 . . . . 0.0 111.662 -177.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 79.8 mt -78.8 -42.18 24.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.939 -1.101 . . . . 0.0 111.291 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.593 ' CE1' ' OD1' ' A' ' 80' ' ' ASN . 80.2 m80 -75.3 -48.18 24.39 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.992 -1.067 . . . . 0.0 111.51 -178.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -84.42 111.03 19.09 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.789 -1.194 . . . . 0.0 110.394 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -62.02 -36.58 81.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.474 -0.766 . . . . 0.0 110.274 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.04 -41.08 86.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.192 -0.943 . . . . 0.0 109.667 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -62.47 -32.16 73.01 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.223 -0.923 . . . . 0.0 108.707 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.31 -44.59 64.84 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.365 -0.834 . . . . 0.0 110.053 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.537 ' HZ2' ' CB ' ' A' ' 135' ' ' TRP . 16.7 tttp -63.51 -48.54 77.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.032 -1.042 . . . . 0.0 110.49 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.6 pp -62.64 -41.32 91.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.049 -1.032 . . . . 0.0 108.586 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.426 ' OH ' ' CD1' ' A' ' 20' ' ' LEU . 60.5 t80 -63.01 -46.37 87.96 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.655 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 83.2 mtp -68.74 -40.66 79.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.434 -0.791 . . . . 0.0 109.893 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.26 -40.54 90.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.149 -0.969 . . . . 0.0 108.82 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -62.38 -43.64 98.35 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.367 -0.833 . . . . 0.0 108.965 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -65.94 -48.25 71.97 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.496 -0.753 . . . . 0.0 109.635 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 38.3 p -62.47 -41.53 98.84 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.219 -0.926 . . . . 0.0 109.847 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.2 ttm -60.24 -41.04 92.32 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.275 -0.891 . . . . 0.0 109.038 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -62.4 -42.09 99.16 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.364 -0.835 . . . . 0.0 109.431 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.1 mt -68.25 -37.35 80.68 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.273 -0.892 . . . . 0.0 109.903 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -58.15 -48.27 80.78 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.884 -1.135 . . . . 0.0 109.524 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -67.43 -44.07 79.65 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.137 -0.977 . . . . 0.0 110.098 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.13 -43.93 90.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.353 -0.842 . . . . 0.0 110.905 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -62.37 -45.85 91.28 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.949 -1.094 . . . . 0.0 110.44 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 93.8 mt -56.53 -52.33 65.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.779 -1.201 . . . . 0.0 109.113 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -62.45 -36.34 82.11 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.126 -0.984 . . . . 0.0 109.177 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.6 ' O ' ' N ' ' A' ' 111' ' ' GLY . 69.6 tp60 -60.35 -42.34 95.53 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.41 -0.806 . . . . 0.0 109.833 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.457 ' O ' ' CZ2' ' A' ' 113' ' ' TRP . 89.2 mt -64.97 -37.79 88.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.0 -1.063 . . . . 0.0 109.352 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -76.68 -52.85 8.86 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 110.411 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -87.06 -22.7 25.28 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.352 -0.843 . . . . 0.0 110.723 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -98.54 155.08 20.14 Favored Glycine 0 N--CA 1.493 2.441 0 C-N-CA 119.574 -1.298 . . . . 0.0 110.366 -179.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.0 154.21 67.01 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.926 2.417 . . . . 0.0 112.017 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.581 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 22.3 m-90 -94.77 116.16 28.4 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.173 -0.954 . . . . 0.0 109.743 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.9 m-20 -134.99 169.19 17.8 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.344 -0.848 . . . . 0.0 109.146 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.6 m -64.08 -32.62 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 O-C-N 121.178 -0.951 . . . . 0.0 109.443 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.401 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.5 mtm -60.12 -40.5 89.93 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.28 -0.888 . . . . 0.0 109.637 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.4 mm? -67.11 -38.19 85.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.263 -0.898 . . . . 0.0 109.487 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -58.43 -46.02 87.33 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.289 -0.882 . . . . 0.0 109.443 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -62.93 -38.94 93.02 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.297 -0.877 . . . . 0.0 109.67 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.9 m -62.02 -40.16 94.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.298 -0.876 . . . . 0.0 109.884 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.79 -43.92 91.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.17 -0.956 . . . . 0.0 109.961 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.426 ' O ' ' CG ' ' A' ' 126' ' ' ASP . 77.2 m95 -61.11 -37.65 83.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.963 -1.086 . . . . 0.0 109.614 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.618 ' SG ' ' N ' ' A' ' 124' ' ' CYS . 0.1 OUTLIER -69.0 -45.84 69.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.184 -0.948 . . . . 0.0 109.455 179.492 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.618 ' N ' ' SG ' ' A' ' 123' ' ' CYS . 89.6 m -65.42 -48.46 72.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.284 -0.885 . . . . 0.0 109.809 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.55 -42.38 91.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 O-C-N 121.125 -0.985 . . . . 0.0 109.421 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 122' ' ' TRP . 90.9 m-20 -59.93 -38.76 83.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.257 -0.902 . . . . 0.0 109.135 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 42.7 tp -61.44 -42.09 98.21 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.356 -0.84 . . . . 0.0 109.436 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -64.94 -42.95 94.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.303 -0.873 . . . . 0.0 109.244 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.5 m -62.91 -37.82 88.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.415 -0.803 . . . . 0.0 109.936 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.663 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 74.4 m -62.46 -49.41 75.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.245 -0.909 . . . . 0.0 109.57 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.97 -46.55 96.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 121.185 -0.947 . . . . 0.0 109.272 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 136' ' ' LYS . 39.9 tp -63.39 -39.06 93.47 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.55 -0.719 . . . . 0.0 109.924 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -57.77 -49.45 76.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.151 -0.968 . . . . 0.0 110.098 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.4 tp -67.46 -43.02 82.08 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.052 -1.03 . . . . 0.0 109.8 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.537 ' CB ' ' HZ2' ' A' ' 90' ' ' LYS . 92.9 m95 -87.29 1.7 52.44 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.285 -0.884 . . . . 0.0 110.657 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -53.08 -37.39 61.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.998 -1.063 . . . . 0.0 109.482 -179.8 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -62.87 -25.5 68.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.301 -0.875 . . . . 0.0 109.628 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -89.15 -2.93 58.73 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.21 -0.931 . . . . 0.0 110.044 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.4 mm -103.36 143.47 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.215 -0.928 . . . . 0.0 109.162 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 32.0 t -77.83 150.2 34.27 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.289 -0.882 . . . . 0.0 108.783 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.68 -41.25 85.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.121 -0.987 . . . . 0.0 109.893 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.0 m -70.35 -45.85 65.32 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.07 -1.019 . . . . 0.0 109.688 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 86.4 p -64.26 -39.94 94.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.259 -0.9 . . . . 0.0 109.175 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 145' ' ' ASN . 0.5 OUTLIER -70.95 -39.91 72.32 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.086 -1.009 . . . . 0.0 108.634 179.337 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . 0.411 ' N ' HG23 ' A' ' 144' ' ' THR . 9.7 t30 -49.61 -45.63 48.35 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.5 m -63.64 -40.2 96.26 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.409 ' HA ' HH11 ' A' ' 150' ' ' ARG . 35.5 tp -65.68 -38.81 90.32 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.548 -0.72 . . . . 0.0 109.558 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -58.82 -38.32 78.36 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -62.03 -41.75 98.44 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.554 -0.717 . . . . 0.0 109.63 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.409 HH11 ' HA ' ' A' ' 147' ' ' LEU . 80.3 mtt85 -58.37 -42.54 87.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.96 -1.087 . . . . 0.0 108.863 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.457 HG23 HD11 ' A' ' 151' ' ' ILE . 33.9 mm -64.91 -42.72 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -58.06 -38.3 76.05 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -58.51 -43.77 89.24 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 77.3 m -64.9 -50.36 66.85 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.274 -0.891 . . . . 0.0 108.868 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -60.1 -36.35 77.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.291 -0.88 . . . . 0.0 108.832 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 15.8 mt -58.76 -43.04 87.04 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 O-C-N 121.397 -0.814 . . . . 0.0 110.014 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.581 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 69.1 t80 -62.5 -42.51 99.55 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.299 -0.875 . . . . 0.0 108.901 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 72.1 mt -61.74 -40.1 93.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.92 . . . . 0.0 109.37 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.4 m -63.13 -41.46 99.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.222 -0.923 . . . . 0.0 109.882 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 165' ' ' GLU . 40.0 mtpt -61.62 -39.71 92.25 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.104 -0.997 . . . . 0.0 109.323 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 161' ' ' LEU . 8.1 mp -65.15 -36.1 83.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.19 -0.944 . . . . 0.0 109.024 179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.1 -37.09 83.76 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.235 -0.916 . . . . 0.0 108.92 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -85.37 -4.41 59.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.383 -0.823 . . . . 0.0 109.274 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.56 -0.41 67.91 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 160' ' ' LYS . 95.5 mt-10 -94.77 147.1 23.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.193 -1.18 . . . . 0.0 109.786 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.407 ' CG2' ' HH ' ' A' ' 157' ' ' TYR . 37.5 mm -116.48 134.69 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.473 -0.767 . . . . 0.0 109.517 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -67.96 153.59 95.04 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 121.242 -0.911 . . . . 0.0 109.379 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.79 144.18 96.73 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.593 2.195 . . . . 0.0 112.084 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.27 -33.33 69.29 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.258 -0.902 . . . . 0.0 109.323 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 29.5 mm -113.37 136.39 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.455 -0.778 . . . . 0.0 109.271 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -83.42 144.4 29.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.121 -0.987 . . . . 0.0 109.518 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -62.02 -30.8 71.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 0.0 109.586 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -87.77 145.91 25.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.282 -0.886 . . . . 0.0 109.455 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -104.57 151.65 23.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.408 -0.807 . . . . 0.0 109.434 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 14.1 m -68.04 -32.72 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.253 -0.904 . . . . 0.0 109.593 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -56.98 -35.52 69.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.252 -0.905 . . . . 0.0 109.557 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.46 -40.7 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.275 -0.891 . . . . 0.0 109.468 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.87 -34.82 73.64 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.063 -1.023 . . . . 0.0 109.724 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -56.91 -48.28 78.61 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.224 -0.923 . . . . 0.0 110.533 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.16 -38.12 78.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.13 -0.981 . . . . 0.0 109.998 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -61.03 -41.26 96.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.908 -1.12 . . . . 0.0 109.239 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.56 -38.04 88.42 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.234 -0.916 . . . . 0.0 109.232 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.23 -41.36 96.73 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.284 -0.885 . . . . 0.0 109.087 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -62.02 -41.43 98.09 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.299 -0.876 . . . . 0.0 109.328 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 13.9 tp -59.32 -40.74 87.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.325 -0.86 . . . . 0.0 109.226 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.77 94.81 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.166 -0.959 . . . . 0.0 109.372 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -65.06 -35.45 81.18 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.174 -0.954 . . . . 0.0 109.419 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -62.64 -43.38 98.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.229 -0.919 . . . . 0.0 109.342 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 4.1 tp -61.66 -43.74 98.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.307 -0.871 . . . . 0.0 109.21 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -60.89 -36.65 79.78 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.339 -0.851 . . . . 0.0 109.194 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.56 -37.46 86.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.193 -0.942 . . . . 0.0 108.784 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.63 -38.68 85.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.38 -0.825 . . . . 0.0 108.86 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -93.7 -1.21 55.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.311 -0.868 . . . . 0.0 109.409 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 118.054 -1.414 . . . . 0.0 109.574 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.668 ' H3 ' ' ND2' ' A' ' 4' ' ' ASN . 65.0 mtt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.14 -42.26 90.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.224 -0.922 . . . . 0.0 109.162 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -63.51 -37.65 88.12 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.193 -0.942 . . . . 0.0 108.981 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.668 ' ND2' ' H3 ' ' A' ' 1' ' ' MET . 86.5 m-20 -57.09 -39.61 75.36 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.18 93.16 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.18 99.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.361 -0.837 . . . . 0.0 109.196 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -60.44 -38.9 85.6 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.306 -0.871 . . . . 0.0 109.296 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.93 -40.62 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.296 -0.877 . . . . 0.0 109.242 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.61 -38.1 79.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 C-N-CA 119.474 -0.89 . . . . 0.0 109.192 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.68 96.7 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.203 -0.936 . . . . 0.0 108.966 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p -69.01 -35.39 76.6 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.309 -0.869 . . . . 0.0 108.918 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.36 -44.47 88.84 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.293 -0.879 . . . . 0.0 109.16 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -63.77 -42.35 97.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.282 -0.886 . . . . 0.0 109.161 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.59 -40.93 93.56 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.541 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.94 -41.62 98.17 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.339 -0.85 . . . . 0.0 109.374 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -58.68 -38.94 79.29 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.266 -0.896 . . . . 0.0 108.722 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -60.76 -30.56 70.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.475 -0.766 . . . . 0.0 109.253 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -83.44 -14.55 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.35 -0.844 . . . . 0.0 109.771 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.11 25.22 29.58 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.6 mt -95.36 54.7 1.65 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.218 -1.166 . . . . 0.0 109.01 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.0 -30.62 57.6 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.4 mm -58.61 -54.13 37.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.202 -1.175 . . . . 0.0 109.596 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.1 mm -64.87 -38.0 81.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.75 -45.45 94.82 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.43 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 64.2 t80 -60.73 -48.62 80.99 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.953 -1.322 . . . . 0.0 109.95 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.665 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 74.5 t80 -66.18 -43.56 86.5 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.152 -0.967 . . . . 0.0 110.5 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.512 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -69.05 -36.42 77.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.107 -0.996 . . . . 0.0 110.203 -179.017 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -61.73 -40.71 96.06 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.617 -1.302 . . . . 0.0 108.781 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.43 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 88.4 mt -61.52 -39.51 91.27 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.159 -0.963 . . . . 0.0 108.47 178.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.666 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 71.5 t80 -66.56 -36.29 82.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.152 -0.968 . . . . 0.0 109.077 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.94 86.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.271 -0.893 . . . . 0.0 109.955 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.08 -47.26 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.776 -1.202 . . . . 0.0 108.66 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' OE2' ' NH1' ' B' ' 203' ' ' ARG . 97.0 mt-10 -62.19 -33.8 75.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.007 -1.058 . . . . 0.0 108.71 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' A' ' 34' ' ' LEU . 3.2 tm? -60.96 -45.8 93.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.484 -0.76 . . . . 0.0 109.518 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.1 mt -63.67 -46.45 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.143 -0.973 . . . . 0.0 109.806 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.1 mp -63.0 -36.23 82.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.302 -0.874 . . . . 0.0 109.326 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.2 p -72.68 -23.36 60.87 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' OE2' ' CZ ' ' A' ' 41' ' ' ARG . 83.5 tt0 -69.74 150.93 46.4 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.782 -0.574 . . . . 0.0 109.683 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.21 150.93 13.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.0 109.269 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -57.81 130.68 47.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.291 -0.881 . . . . 0.0 110.099 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.485 ' CZ ' ' OE2' ' A' ' 38' ' ' GLU . 10.9 mtt85 -122.09 170.87 9.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.747 -0.596 . . . . 0.0 109.582 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.7 m -57.39 168.07 0.85 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.321 -0.862 . . . . 0.0 110.647 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.605 ' NE2' ' CG2' ' A' ' 46' ' ' THR . 56.2 tp60 -55.56 -25.45 38.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.817 -0.552 . . . . 0.0 110.776 -178.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -50.18 -39.98 45.52 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.866 -1.146 . . . . 0.0 109.298 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -35.11 79.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.046 -1.034 . . . . 0.0 109.02 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.605 ' CG2' ' NE2' ' A' ' 43' ' ' GLN . 41.1 m -59.34 -42.04 90.58 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.314 -0.866 . . . . 0.0 109.255 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.496 ' O ' ' OG1' ' A' ' 50' ' ' THR . . . -64.64 -41.7 95.97 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.21 -0.931 . . . . 0.0 108.755 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.81 -39.03 87.42 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.239 -0.913 . . . . 0.0 108.957 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.41 87.27 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.326 -0.859 . . . . 0.0 109.642 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.496 ' OG1' ' O ' ' A' ' 47' ' ' ALA . 71.3 p -62.97 -43.05 99.84 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.063 -1.023 . . . . 0.0 109.495 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.66 -40.63 92.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.323 -0.861 . . . . 0.0 108.869 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.3 -38.21 90.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.25 -0.906 . . . . 0.0 109.0 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.4 tp -59.33 -41.04 88.17 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.269 -0.894 . . . . 0.0 108.646 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -60.97 -39.64 90.34 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 59' ' ' PHE . 51.8 m -60.32 -39.05 85.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.698 -0.626 . . . . 0.0 109.816 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.7 mm -57.36 -53.05 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.114 -0.991 . . . . 0.0 109.224 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.5 -36.79 84.93 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.83 -32.47 73.04 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 55' ' ' THR . 87.2 t80 -60.01 -54.46 45.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.266 -0.896 . . . . 0.0 109.441 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -62.67 -42.89 99.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.108 -0.995 . . . . 0.0 109.395 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -82.79 -2.56 54.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.355 -0.841 . . . . 0.0 110.084 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.58 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.39 -35.38 18.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.076 -1.015 . . . . 0.0 109.777 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.428 ' C ' ' H ' ' A' ' 65' ' ' GLY . 86.3 mt -68.72 -36.98 76.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.187 -0.946 . . . . 0.0 109.642 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.0 -5.63 12.61 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.164 -1.575 . . . . 0.0 109.164 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 89.93 -7.95 80.74 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -65.7 -46.49 78.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.104 -1.233 . . . . 0.0 109.718 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.5 t -63.61 -35.15 79.58 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.199 -0.938 . . . . 0.0 109.321 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 69' ' ' ALA . 96.8 mt-10 -63.01 -29.23 70.66 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.446 -0.784 . . . . 0.0 109.893 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -40.56 -37.07 0.66 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.196 -0.94 . . . . 0.0 109.782 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -110.41 131.29 55.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.403 -0.81 . . . . 0.0 109.039 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 51.59 48.02 23.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.105 -0.997 . . . . 0.0 109.002 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.9 t -56.32 -38.5 71.39 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.34 -0.85 . . . . 0.0 110.344 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.82 -43.74 94.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.053 -1.029 . . . . 0.0 110.238 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -66.25 -41.08 90.45 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.043 -1.036 . . . . 0.0 110.343 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -62.37 -45.86 91.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.177 -0.952 . . . . 0.0 110.194 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.421 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 85.0 mt -65.53 -39.25 91.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.257 -0.902 . . . . 0.0 109.714 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.479 ' O ' ' OG1' ' A' ' 81' ' ' THR . 64.4 m170 -62.05 -45.59 92.88 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.19 -0.944 . . . . 0.0 109.951 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.42 -50.21 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.148 -0.97 . . . . 0.0 110.144 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 94.5 mmm -68.36 -46.59 69.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.223 -0.923 . . . . 0.0 110.715 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.588 ' OD1' ' CE1' ' A' ' 84' ' ' HIS . 32.1 t30 -68.56 -43.63 76.22 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.014 -1.054 . . . . 0.0 111.426 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 56.3 m -65.62 -48.34 72.56 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.152 -0.967 . . . . 0.0 111.948 -178.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 14.4 mt -72.36 -34.01 67.67 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.853 -1.154 . . . . 0.0 111.386 -178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 94.2 mt -78.0 -35.56 20.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.987 -1.07 . . . . 0.0 111.065 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.588 ' CE1' ' OD1' ' A' ' 80' ' ' ASN . 77.7 m80 -89.13 -31.59 17.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.02 -1.05 . . . . 0.0 111.323 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -87.83 105.98 17.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.745 -1.222 . . . . 0.0 109.939 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -62.15 -40.11 94.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.34 -0.85 . . . . 0.0 109.914 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.56 -40.98 98.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.214 -0.929 . . . . 0.0 109.66 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -62.18 -34.34 76.24 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.83 -42.96 66.34 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.323 -0.861 . . . . 0.0 109.592 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -61.37 -48.86 79.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.269 -0.895 . . . . 0.0 109.862 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.6 pp -66.59 -40.36 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.215 -0.928 . . . . 0.0 108.889 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -61.96 -47.27 85.59 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.231 -0.918 . . . . 0.0 108.557 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.665 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 74.4 mtm -63.9 -37.28 86.82 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.324 -0.86 . . . . 0.0 109.34 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.8 mt -61.6 -39.62 91.87 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.016 -1.053 . . . . 0.0 108.825 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.62 -44.02 97.77 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.443 -0.786 . . . . 0.0 109.058 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -67.42 -49.46 63.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.365 -0.835 . . . . 0.0 109.343 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.458 ' HG1' ' N ' ' A' ' 98' ' ' MET . 81.5 p -62.47 -44.31 96.7 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 121.279 -0.888 . . . . 0.0 109.268 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.458 ' N ' ' HG1' ' A' ' 97' ' ' THR . 50.8 ttm -60.64 -47.64 85.32 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.299 -0.875 . . . . 0.0 108.761 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.4 t -65.0 -42.06 94.84 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 104' ' ' LYS . 33.2 tp -64.04 -37.64 88.17 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.486 -0.759 . . . . 0.0 109.337 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -59.37 -48.53 81.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.378 -0.826 . . . . 0.0 109.607 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -65.98 -46.74 76.95 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.091 -1.006 . . . . 0.0 109.009 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.46 -34.84 78.64 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.399 -0.813 . . . . 0.0 109.074 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 100' ' ' LEU . 6.1 ttpm? -59.91 -44.33 94.35 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.326 -0.859 . . . . 0.0 109.304 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.2 -43.4 98.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.185 -0.947 . . . . 0.0 109.281 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -61.23 -40.73 95.11 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.199 -0.938 . . . . 0.0 110.192 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' A' ' 111' ' ' GLY . 27.9 mt-30 -62.05 -40.93 97.43 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.127 -0.983 . . . . 0.0 109.921 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.403 ' O ' ' CZ2' ' A' ' 113' ' ' TRP . 82.0 mt -64.95 -38.98 92.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.01 -1.056 . . . . 0.0 109.467 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -78.6 -53.1 7.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.272 -0.893 . . . . 0.0 110.25 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -83.68 -23.02 31.91 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.49 -0.756 . . . . 0.0 110.72 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -101.78 149.44 18.1 Favored Glycine 0 N--CA 1.492 2.428 0 C-N-CA 119.601 -1.285 . . . . 0.0 110.253 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.01 154.08 52.65 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 122.725 2.283 . . . . 0.0 111.806 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.594 ' CE2' ' OH ' ' A' ' 157' ' ' TYR . 15.1 m-90 -92.3 116.69 29.18 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.073 -1.017 . . . . 0.0 109.635 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 88.0 m-20 -135.02 175.89 9.16 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.284 -0.885 . . . . 0.0 109.062 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -60.52 -36.2 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.166 -0.959 . . . . 0.0 109.316 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.445 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.7 mtm -60.44 -39.83 88.9 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.31 -0.869 . . . . 0.0 109.195 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.4 mm? -65.61 -37.91 87.95 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.308 -0.87 . . . . 0.0 108.958 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -57.87 -42.71 85.11 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.209 -0.932 . . . . 0.0 108.798 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -62.68 -39.47 94.06 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.368 -0.832 . . . . 0.0 109.03 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.9 m -62.67 -39.7 94.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.371 -0.831 . . . . 0.0 109.738 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.94 -42.0 99.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.191 -0.943 . . . . 0.0 109.743 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 86.5 m95 -63.53 -39.55 94.7 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.184 -0.947 . . . . 0.0 109.577 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.6 m -67.62 -42.77 81.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -0.891 . . . . 0.0 109.969 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 76.0 m -58.93 -47.31 85.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.158 -0.964 . . . . 0.0 109.722 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.93 -39.07 80.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.184 -0.948 . . . . 0.0 109.403 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.564 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 91.0 m-20 -60.21 -41.42 93.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.277 -0.889 . . . . 0.0 109.727 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.62 -42.24 99.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.136 -0.977 . . . . 0.0 109.627 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -72.31 -43.11 64.65 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.244 -0.91 . . . . 0.0 109.516 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.6 p -70.99 -33.13 70.11 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.265 -0.897 . . . . 0.0 110.246 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.666 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 90.2 m -68.14 -50.08 56.89 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.032 -1.043 . . . . 0.0 109.782 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.2 mt -66.37 -44.02 91.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.213 -0.929 . . . . 0.0 109.411 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 136' ' ' LYS . 38.9 tp -63.09 -40.54 97.94 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.485 -0.76 . . . . 0.0 109.95 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -60.84 -49.33 77.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.183 -0.948 . . . . 0.0 110.278 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 39.1 tp -64.3 -44.75 90.65 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.075 -1.015 . . . . 0.0 109.866 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -87.4 3.51 46.79 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.311 -0.868 . . . . 0.0 110.327 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.485 ' CD ' ' HG1' ' A' ' 144' ' ' THR . 5.8 tptm -53.43 -36.01 61.07 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.242 -0.911 . . . . 0.0 109.858 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -62.78 -25.41 68.21 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.122 -0.986 . . . . 0.0 109.371 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -89.92 -2.9 58.27 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.193 -0.942 . . . . 0.0 110.099 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.9 mm -104.4 142.08 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.115 -0.991 . . . . 0.0 109.805 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.1 m -77.56 155.42 31.58 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -55.41 -41.57 72.9 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.07 -1.019 . . . . 0.0 109.716 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 26.6 m -72.14 -43.3 64.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.936 -1.102 . . . . 0.0 109.211 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.7 m -59.14 -39.32 82.02 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.153 -0.967 . . . . 0.0 108.653 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.485 ' HG1' ' CD ' ' A' ' 136' ' ' LYS . 0.4 OUTLIER -63.9 -38.64 91.83 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . 0.409 ' N ' HG22 ' A' ' 144' ' ' THR . 23.2 t-20 -55.36 -45.54 76.51 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.404 -0.81 . . . . 0.0 109.421 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.5 m -61.35 -46.38 90.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.157 -0.964 . . . . 0.0 109.453 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 37.6 mt -65.79 -39.93 91.44 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.276 -0.89 . . . . 0.0 109.014 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.615 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -64.0 -36.21 83.25 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.334 -0.854 . . . . 0.0 109.001 179.481 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -62.19 -38.62 89.81 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.099 -1.0 . . . . 0.0 109.248 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.33 -42.5 98.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.061 -1.024 . . . . 0.0 108.339 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.7 -37.56 80.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -57.9 -41.43 82.6 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -58.82 -43.23 90.56 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 88.1 m -64.81 -50.36 67.03 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.287 -0.883 . . . . 0.0 109.077 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -62.39 -37.17 84.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.293 -0.879 . . . . 0.0 109.347 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 11.0 mt -58.5 -47.8 87.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.153 -0.967 . . . . 0.0 109.827 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.594 ' OH ' ' CE2' ' A' ' 113' ' ' TRP . 74.3 t80 -63.2 -40.42 97.44 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 36.5 tp -59.57 -41.06 89.35 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.2 m -61.84 -37.92 86.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.309 -0.869 . . . . 0.0 109.008 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -61.07 -40.28 93.07 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.269 -0.894 . . . . 0.0 108.9 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.67 -35.43 80.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.296 -0.877 . . . . 0.0 109.207 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.59 -37.18 82.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.411 -0.805 . . . . 0.0 109.145 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -81.73 -11.52 59.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.244 -0.91 . . . . 0.0 109.291 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.37 -2.21 74.04 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -94.89 139.61 31.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -1.145 . . . . 0.0 109.65 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.423 ' O ' ' O ' ' A' ' 167' ' ' GLY . 37.9 mm -116.39 134.05 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.451 -0.781 . . . . 0.0 109.389 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 166' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 118.014 -1.437 . . . . 0.0 109.565 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 44.3 t -67.83 135.31 92.19 Favored Pre-proline 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 0.0 109.066 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -66.07 145.09 78.18 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 121.943 1.762 . . . . 0.0 112.154 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -102.09 136.87 41.17 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.19 -0.944 . . . . 0.0 109.575 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 15.9 tt -124.8 138.14 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.479 -0.763 . . . . 0.0 109.373 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -84.57 139.98 31.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.194 -0.941 . . . . 0.0 109.465 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -65.85 146.81 54.3 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.225 -0.922 . . . . 0.0 109.574 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -57.86 -34.69 70.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.172 -0.955 . . . . 0.0 109.338 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.39 145.94 30.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.251 -0.906 . . . . 0.0 109.356 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 24.1 t -105.26 136.96 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.269 -0.894 . . . . 0.0 109.545 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -54.63 -31.8 57.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.49 -0.757 . . . . 0.0 109.84 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.64 -43.77 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.111 -0.993 . . . . 0.0 109.684 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -60.34 -35.22 75.14 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.843 -1.161 . . . . 0.0 109.57 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -60.17 -46.49 89.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.326 -0.859 . . . . 0.0 110.778 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -67.86 -40.55 83.63 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.02 -1.05 . . . . 0.0 110.395 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -57.23 -41.55 79.74 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.728 -1.233 . . . . 0.0 109.378 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.65 -40.52 92.56 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.116 -0.99 . . . . 0.0 109.004 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -62.39 -39.59 93.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.337 -0.852 . . . . 0.0 108.937 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -60.12 -42.1 94.05 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.381 -0.824 . . . . 0.0 109.278 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.64 -42.33 92.51 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.206 -0.934 . . . . 0.0 109.084 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.99 91.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.2 -0.938 . . . . 0.0 109.043 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -65.27 -34.75 79.08 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.359 -0.838 . . . . 0.0 109.162 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -58.96 -43.89 91.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.264 -0.898 . . . . 0.0 109.101 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.0 -42.66 99.9 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.213 -0.929 . . . . 0.0 108.858 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -58.96 -38.45 79.11 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.361 -0.837 . . . . 0.0 108.82 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.35 79.9 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.321 -0.862 . . . . 0.0 108.705 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 4.2 tp -58.99 -39.72 82.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.0 108.988 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . 0.474 ' NH1' ' OE2' ' A' ' 33' ' ' GLU . 33.7 ptt180 -101.51 3.7 40.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.887 . . . . 0.0 109.445 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 117.991 -1.449 . . . . 0.0 109.515 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.523 ' H2 ' HD21 ' A' ' 4' ' ' ASN . 64.7 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.4 ' HB1' HH11 ' A' ' 41' ' ' ARG . . . -58.97 -40.1 83.74 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.136 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -63.38 -38.57 91.65 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.139 -0.976 . . . . 0.0 108.97 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.523 HD21 ' H2 ' ' A' ' 1' ' ' MET . 86.2 m-20 -57.32 -39.63 76.22 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.82 95.29 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.32 95.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.337 -0.852 . . . . 0.0 109.151 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' A' ' 11' ' ' THR . 12.4 tpt85 -60.29 -38.87 84.97 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.255 -0.903 . . . . 0.0 109.021 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.53 -39.47 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.281 -0.887 . . . . 0.0 109.007 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.45 -38.36 79.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.337 -0.852 . . . . 0.0 108.975 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.19 95.09 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.292 -0.963 . . . . 0.0 108.575 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.558 ' CG2' ' NH1' ' A' ' 7' ' ' ARG . 3.8 p -67.93 -35.36 78.29 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.97 -42.42 89.87 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.302 -0.874 . . . . 0.0 108.814 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -62.83 -43.58 98.41 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.255 -0.903 . . . . 0.0 108.933 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -61.34 -42.23 98.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.231 -0.918 . . . . 0.0 109.235 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -62.39 -40.5 96.69 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.337 -0.852 . . . . 0.0 109.206 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.474 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 55.5 t0 -58.75 -38.41 78.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.252 -0.905 . . . . 0.0 108.682 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -60.71 -30.48 69.98 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.5 t -83.76 -10.22 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.432 -0.792 . . . . 0.0 109.477 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.53 16.86 56.27 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.1 mt -95.75 47.57 1.11 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.316 -1.108 . . . . 0.0 109.088 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.21 -32.24 57.01 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.2 mm -58.54 -50.23 79.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 O-C-N 121.172 -1.193 . . . . 0.0 109.603 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.414 HD13 HG22 ' A' ' 23' ' ' ILE . 22.2 mm -63.13 -42.22 95.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.227 -0.921 . . . . 0.0 109.05 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.59 -39.35 94.95 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -62.46 -47.72 82.78 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.149 -1.207 . . . . 0.0 110.408 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.667 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 70.9 t80 -61.11 -45.86 92.96 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.264 -0.897 . . . . 0.0 111.275 -178.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.17 -33.41 75.71 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.579 -1.326 . . . . 0.0 109.918 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -59.87 -40.41 88.53 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.624 -1.297 . . . . 0.0 107.895 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.4 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 86.0 mt -61.77 -38.29 87.49 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.666 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 84.7 t80 -67.32 -36.3 81.18 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.421 -0.799 . . . . 0.0 109.253 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.5 93.08 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.307 -0.871 . . . . 0.0 110.151 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.4 ' CG1' ' O ' ' A' ' 29' ' ' LEU . 2.1 p -65.89 -42.53 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.778 -1.202 . . . . 0.0 108.775 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.6 -34.75 76.18 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.948 -1.095 . . . . 0.0 108.793 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.3 tp -64.25 -45.19 89.24 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.323 -0.861 . . . . 0.0 109.995 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.1 mt -60.27 -46.63 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.08 -1.012 . . . . 0.0 110.111 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -64.44 -33.4 75.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.353 -0.842 . . . . 0.0 109.857 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.2 p -71.75 -25.66 62.13 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.077 -1.014 . . . . 0.0 109.73 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -76.22 150.46 37.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.358 -0.839 . . . . 0.0 109.931 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.94 151.05 15.46 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.432 -0.792 . . . . 0.0 109.136 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -57.35 140.17 50.93 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.234 -0.916 . . . . 0.0 109.825 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.4 HH11 ' HB1' ' A' ' 2' ' ' ALA . 76.4 mtp180 -122.15 170.57 9.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.718 -0.614 . . . . 0.0 109.475 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p -57.81 171.42 0.49 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.91 . . . . 0.0 109.769 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -55.58 -28.64 56.22 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.466 -0.772 . . . . 0.0 110.722 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.27 -41.68 50.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.799 -1.188 . . . . 0.0 109.412 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 56.3 ttp -64.3 -36.25 83.5 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.03 -1.044 . . . . 0.0 109.017 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.7 m -59.59 -40.91 89.03 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.415 -0.803 . . . . 0.0 109.25 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.27 97.91 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.268 -0.895 . . . . 0.0 108.794 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.5 tp -61.23 -39.28 89.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.375 -0.828 . . . . 0.0 109.006 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.49 91.21 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.299 -0.876 . . . . 0.0 109.366 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.1 m -60.7 -42.58 97.45 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.193 -0.942 . . . . 0.0 109.158 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.86 -39.36 91.6 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.261 -0.9 . . . . 0.0 108.964 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.55 -40.71 92.6 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.374 -0.829 . . . . 0.0 109.213 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.08 -39.9 91.68 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.294 -0.879 . . . . 0.0 108.935 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -59.94 -41.28 91.51 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.459 -0.775 . . . . 0.0 108.938 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.9 m -60.72 -41.8 95.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.512 -0.743 . . . . 0.0 109.672 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 79.7 mt -59.29 -51.54 71.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.209 -0.932 . . . . 0.0 109.182 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.534 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.9 mt-10 -62.54 -36.71 83.47 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -65.24 -34.52 78.55 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -59.38 -54.26 48.7 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.285 -0.884 . . . . 0.0 109.176 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.22 -40.82 97.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.098 -1.001 . . . . 0.0 109.009 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -82.53 -2.42 53.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.503 -0.748 . . . . 0.0 109.831 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.0 tt0 -49.11 -34.94 15.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.175 -0.953 . . . . 0.0 109.846 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.45 ' C ' ' H ' ' A' ' 65' ' ' GLY . 81.9 mt -68.44 -41.2 83.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 121.172 -0.955 . . . . 0.0 109.676 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.25 -5.47 9.23 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.45 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 90.77 -8.48 79.74 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -69.74 -47.07 64.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.236 -1.155 . . . . 0.0 109.648 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.3 m -69.22 -32.45 71.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.243 -0.911 . . . . 0.0 108.988 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 72' ' ' SER . 84.3 tt0 -57.23 -32.95 67.05 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.553 -0.717 . . . . 0.0 109.92 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.94 -37.91 83.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.133 -0.979 . . . . 0.0 109.961 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' ASP . 95.6 mt-10 -97.7 135.34 39.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.153 -0.967 . . . . 0.0 108.786 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' GLU . 85.9 m-20 48.88 44.1 21.93 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -58.28 -43.3 87.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.636 -0.665 . . . . 0.0 110.564 -178.602 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.585 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 90.6 m-20 -62.87 -48.09 80.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.985 -1.072 . . . . 0.0 110.116 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -72.6 -42.85 64.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.348 -0.845 . . . . 0.0 110.641 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.2 m -59.5 -46.22 89.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.107 -0.995 . . . . 0.0 110.174 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.406 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 99.1 mt -68.21 -37.95 81.42 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.207 -0.933 . . . . 0.0 109.807 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.585 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 64.8 m170 -61.11 -45.59 94.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.285 -0.884 . . . . 0.0 110.233 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.11 -49.94 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.103 -0.998 . . . . 0.0 110.251 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 97.2 mmm -67.92 -46.34 71.79 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.072 -1.017 . . . . 0.0 110.233 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.591 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 57.8 t-20 -68.4 -44.52 74.9 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.179 -0.951 . . . . 0.0 111.293 -178.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 39.7 m -67.28 -48.12 68.61 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.049 -1.032 . . . . 0.0 112.0 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.9 mt -70.82 -33.88 71.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.926 -1.109 . . . . 0.0 111.32 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.9 mt -79.03 -42.21 23.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 120.885 -1.135 . . . . 0.0 111.072 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.591 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 67.4 m80 -75.52 -48.0 24.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.133 -0.979 . . . . 0.0 111.312 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -83.1 108.36 16.32 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.834 -1.166 . . . . 0.0 110.114 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -61.97 -34.84 76.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.454 -0.779 . . . . 0.0 110.001 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.61 -42.13 87.45 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.092 -1.005 . . . . 0.0 109.675 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -63.29 -34.98 78.87 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.82 -42.66 66.75 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.25 -0.906 . . . . 0.0 109.485 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -60.27 -48.44 81.73 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.081 -1.012 . . . . 0.0 109.75 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.41 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -69.9 -41.14 79.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.298 -0.876 . . . . 0.0 108.932 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 63.7 t80 -62.85 -48.67 78.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.25 -0.906 . . . . 0.0 108.656 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.667 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 72.1 mtm -65.77 -37.62 86.84 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.297 -0.877 . . . . 0.0 109.313 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.9 tp -61.4 -40.9 96.05 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.215 -0.928 . . . . 0.0 108.961 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -62.48 -42.27 99.37 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.442 -0.786 . . . . 0.0 109.299 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -63.38 -47.13 83.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.437 -0.789 . . . . 0.0 109.626 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 41.9 p -62.68 -43.28 99.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.248 -0.907 . . . . 0.0 109.6 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 59.8 ttp -63.92 -46.84 82.98 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.379 -0.826 . . . . 0.0 109.205 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 m -69.24 -42.03 76.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.843 . . . . 0.0 109.502 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.0 tp -67.43 -39.96 85.45 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.338 -0.851 . . . . 0.0 110.068 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.414 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 76.6 t80 -62.94 -48.39 79.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.27 -0.894 . . . . 0.0 110.642 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -63.79 -47.19 81.9 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.959 -1.088 . . . . 0.0 109.973 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.25 -37.68 88.19 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.258 -0.901 . . . . 0.0 109.37 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.584 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 38.8 tttp -61.74 -42.04 98.44 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.364 -0.835 . . . . 0.0 109.648 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.98 -43.3 95.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.102 -0.999 . . . . 0.0 109.101 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -60.11 -37.67 80.71 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.174 -0.954 . . . . 0.0 109.074 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.592 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.3 mt-30 -62.87 -38.33 90.42 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.366 -0.834 . . . . 0.0 109.451 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 63.3 mt -63.71 -39.14 93.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.167 -0.958 . . . . 0.0 109.283 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -78.2 -53.12 7.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 110.39 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -82.13 -23.03 35.86 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.4 -0.812 . . . . 0.0 110.518 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.61 155.16 17.89 Favored Glycine 0 N--CA 1.493 2.476 0 C-N-CA 119.713 -1.232 . . . . 0.0 110.312 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -68.82 154.3 71.35 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.941 2.428 . . . . 0.0 111.869 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.588 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 13.0 m-90 -92.23 124.62 36.44 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.149 -0.97 . . . . 0.0 109.656 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.2 m-20 -134.5 166.64 22.42 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.422 -0.799 . . . . 0.0 109.485 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.9 m -64.17 -31.87 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.244 -0.91 . . . . 0.0 109.393 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.8 mtm -59.34 -39.08 82.04 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.327 -0.858 . . . . 0.0 109.31 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.98 -37.72 88.45 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.227 -0.92 . . . . 0.0 109.12 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.5 mttp -59.67 -42.14 92.24 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.197 -0.939 . . . . 0.0 109.033 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -62.47 -40.61 97.21 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.335 -0.853 . . . . 0.0 109.235 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.584 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 96.8 p -65.63 -34.19 77.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.463 -0.773 . . . . 0.0 109.421 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 34.1 mt -64.78 -42.01 95.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.29 -0.881 . . . . 0.0 109.434 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -63.13 -41.41 99.32 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.072 -1.017 . . . . 0.0 109.269 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.8 m -68.71 -41.14 79.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.294 -0.879 . . . . 0.0 109.643 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 91.6 m -62.32 -49.42 75.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.19 -0.944 . . . . 0.0 109.732 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.75 -41.91 90.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 121.216 -0.928 . . . . 0.0 109.355 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.497 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.3 m-20 -61.18 -39.16 89.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.363 -0.836 . . . . 0.0 109.649 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 44.4 tp -61.23 -44.95 96.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 109.452 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -69.12 -43.11 75.08 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.295 -0.878 . . . . 0.0 109.295 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.6 m -62.02 -38.45 88.71 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.366 -0.834 . . . . 0.0 109.822 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.666 ' SG ' ' CD1' ' A' ' 30' ' ' TYR . 72.6 m -63.41 -49.3 74.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.21 -0.931 . . . . 0.0 109.364 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.63 -43.77 98.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 O-C-N 121.188 -0.945 . . . . 0.0 109.289 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.56 -40.23 96.17 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.544 -0.723 . . . . 0.0 110.329 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -62.14 -49.33 76.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.13 -0.981 . . . . 0.0 110.458 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 35.1 tp -65.52 -43.9 88.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.036 -1.04 . . . . 0.0 110.374 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -86.93 2.39 49.46 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.248 -0.907 . . . . 0.0 110.556 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -37.52 63.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.111 -0.993 . . . . 0.0 109.519 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.01 -25.34 65.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.908 . . . . 0.0 110.024 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -89.07 -5.96 57.47 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.09 -1.006 . . . . 0.0 110.67 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.1 147.19 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.227 -0.92 . . . . 0.0 109.902 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 55.4 p -77.13 155.56 32.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.421 -0.799 . . . . 0.0 109.538 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.07 -40.36 89.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.823 . . . . 0.0 110.158 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 27.7 m -67.13 -45.2 77.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.729 -1.232 . . . . 0.0 109.076 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.9 m -59.83 -39.63 85.74 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.91 -38.85 87.19 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -56.04 -44.57 78.94 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.494 -0.754 . . . . 0.0 109.356 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.9 m -61.16 -50.51 72.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.203 -0.936 . . . . 0.0 109.981 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.26 -38.72 88.5 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.128 -0.983 . . . . 0.0 109.215 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.622 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -63.06 -38.83 92.73 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.235 -0.916 . . . . 0.0 109.434 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -62.49 -39.2 92.71 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.948 -1.095 . . . . 0.0 108.905 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.15 -40.32 85.17 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.168 -0.957 . . . . 0.0 108.61 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.8 mm -60.96 -40.59 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.361 -0.837 . . . . 0.0 108.854 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -57.49 -41.69 81.21 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -57.97 -42.62 85.43 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . 0.414 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 5.1 m -62.77 -49.96 72.92 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -62.42 -33.83 75.57 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.505 -0.747 . . . . 0.0 109.41 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 19.7 mt -57.89 -48.08 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 O-C-N 121.196 -0.94 . . . . 0.0 109.861 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.588 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 54.2 t80 -63.13 -41.0 99.22 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 48.2 tp -59.91 -40.11 87.72 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.754 -0.591 . . . . 0.0 109.46 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.8 m -61.87 -42.03 98.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 0.0 109.757 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.574 ' HZ1' ' C ' ' A' ' 167' ' ' GLY . 55.5 mtmt -61.5 -40.56 95.02 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.112 -0.993 . . . . 0.0 109.228 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 10.3 mp -66.52 -35.16 79.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.265 -0.897 . . . . 0.0 109.087 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.83 81.56 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.286 -0.884 . . . . 0.0 109.073 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -81.66 -12.02 58.85 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.342 -0.849 . . . . 0.0 109.264 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.11 -3.91 73.73 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -95.09 144.05 26.05 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.225 -1.162 . . . . 0.0 109.705 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 39.4 mm -117.31 134.99 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.491 -0.755 . . . . 0.0 109.425 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.574 ' C ' ' HZ1' ' A' ' 160' ' ' LYS . . . . . . . . 0 N--CA 1.49 2.282 0 CA-C-O 117.976 -1.458 . . . . 0.0 109.502 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 2.3 t -67.94 135.62 91.98 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.853 . . . . 0.0 109.075 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . 0.489 ' O ' ' O ' ' B' ' 179' ' ' GLU . 26.1 Cg_endo -65.89 146.96 84.45 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.895 1.73 . . . . 0.0 112.215 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . 0.489 ' O ' ' O ' ' B' ' 178' ' ' PRO . 84.4 tt0 41.98 94.71 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.353 -0.842 . . . . 0.0 109.7 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 15.3 tt -121.79 136.14 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.519 -0.738 . . . . 0.0 109.349 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -88.44 141.56 28.44 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.203 -0.935 . . . . 0.0 109.599 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -63.94 -26.55 68.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.286 -0.884 . . . . 0.0 109.378 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -56.91 -32.77 66.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.291 -0.88 . . . . 0.0 109.526 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -54.74 -34.52 62.63 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.199 -0.938 . . . . 0.0 109.395 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 42.4 t -118.24 137.27 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.422 -0.798 . . . . 0.0 109.481 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -100.79 156.21 17.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.266 -0.896 . . . . 0.0 109.442 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 187' ' ' VAL . . . . . 0.417 ' CG1' ' HZ1' ' B' ' 191' ' ' LYS . 62.3 t -61.59 -42.19 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.322 -0.861 . . . . 0.0 109.556 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.7 -34.74 74.82 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.974 -1.079 . . . . 0.0 109.599 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -58.17 -46.97 84.8 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.314 -0.866 . . . . 0.0 110.668 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.97 -42.04 77.13 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.11 -0.993 . . . . 0.0 110.328 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 191' ' ' LYS . . . . . 0.417 ' HZ1' ' CG1' ' B' ' 187' ' ' VAL . 26.6 mttt -58.34 -41.69 85.18 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.743 -1.223 . . . . 0.0 109.498 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.3 -38.72 91.11 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.123 -0.986 . . . . 0.0 109.207 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -61.03 -40.66 94.43 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.283 -0.885 . . . . 0.0 109.036 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -61.41 -42.18 98.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.323 -0.861 . . . . 0.0 109.358 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 36.1 tp -59.68 -40.04 86.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.235 -0.916 . . . . 0.0 109.268 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.08 97.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.334 -0.854 . . . . 0.0 109.389 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -65.17 -35.67 81.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.239 -0.913 . . . . 0.0 109.244 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . 0.534 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 79.3 ttt180 -60.82 -42.98 98.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.276 -0.89 . . . . 0.0 109.158 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.42 -43.19 99.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.205 -0.934 . . . . 0.0 109.144 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -59.18 -36.78 75.94 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.349 -0.845 . . . . 0.0 108.921 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.7 -36.51 83.84 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.311 -0.868 . . . . 0.0 108.683 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 9.6 tp -59.98 -39.02 84.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.404 -0.81 . . . . 0.0 108.879 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -87.4 -10.5 51.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.347 -0.846 . . . . 0.0 109.251 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 CA-C-O 117.995 -1.447 . . . . 0.0 109.545 179.847 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.68 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 87.8 mtp . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.386 0.612 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.39 -37.74 73.17 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.101 -0.999 . . . . 0.0 108.896 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.9 p -64.25 -37.5 87.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.272 -0.892 . . . . 0.0 109.178 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.68 ' ND2' ' N ' ' A' ' 1' ' ' MET . 93.3 m-20 -58.58 -41.69 86.31 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.21 -40.15 96.65 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.56 96.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.507 -0.745 . . . . 0.0 109.361 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.432 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.1 -41.71 93.13 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.172 -0.955 . . . . 0.0 108.727 179.758 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.7 t -61.05 -37.04 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.431 -0.793 . . . . 0.0 109.013 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.4 t -60.39 -37.96 76.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.63 98.88 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.6 p -68.61 -35.48 77.38 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.643 ' CB ' HE21 ' A' ' 28' ' ' GLN . . . -57.15 -45.45 83.59 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -62.59 -39.28 93.22 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -59.5 -41.5 90.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.339 -0.851 . . . . 0.0 109.562 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -62.96 -40.52 97.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.175 -0.953 . . . . 0.0 109.535 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.486 ' OD1' ' OE2' ' A' ' 62' ' ' GLU . 61.0 t0 -58.57 -39.92 81.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.173 -0.954 . . . . 0.0 108.853 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -62.14 -31.26 71.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.361 -0.837 . . . . 0.0 109.269 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.1 t -84.01 -14.22 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.297 -0.877 . . . . 0.0 109.643 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.64 12.38 62.68 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.0 mp -95.72 54.62 1.56 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.298 -1.119 . . . . 0.0 109.042 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.08 -29.14 55.29 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.423 HG21 HD12 ' A' ' 22' ' ' ILE . 21.2 mm -58.32 -50.1 79.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.147 -1.207 . . . . 0.0 109.545 -179.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.426 HG23 HD11 ' A' ' 23' ' ' ILE . 28.1 mm -62.8 -44.94 99.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.212 -0.93 . . . . 0.0 108.814 179.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.62 -38.11 93.25 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.416 -1.473 . . . . 0.0 109.416 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.44 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 72.9 t80 -60.74 -47.95 84.01 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.096 -1.238 . . . . 0.0 110.622 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' SD ' ' A' ' 93' ' ' MET . 77.0 t80 -64.31 -47.18 80.42 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.041 -1.037 . . . . 0.0 111.497 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -70.65 -34.13 71.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.668 -1.27 . . . . 0.0 110.363 -178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.643 HE21 ' CB ' ' A' ' 12' ' ' ALA . 85.8 mm-40 -60.31 -41.14 92.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.578 -1.326 . . . . 0.0 108.55 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.44 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 74.5 mt -62.26 -40.54 96.55 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.661 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 74.6 t80 -66.43 -35.99 81.68 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.33 -0.857 . . . . 0.0 109.267 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.78 90.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.319 -0.863 . . . . 0.0 110.105 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.8 p -67.27 -43.81 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.91 -1.119 . . . . 0.0 108.996 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -60.76 -34.4 74.39 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.017 -1.052 . . . . 0.0 108.559 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.2 tp -63.05 -47.53 82.58 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.417 -0.802 . . . . 0.0 109.901 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.7 mt -59.32 -44.96 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.183 -0.948 . . . . 0.0 110.424 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.441 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.0 mp -62.56 -34.43 76.93 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.305 -0.872 . . . . 0.0 110.022 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.4 p -71.98 -25.88 62.03 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.981 -1.074 . . . . 0.0 109.718 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.59 ' OE1' ' NH1' ' A' ' 41' ' ' ARG . 98.8 mt-10 -68.08 150.17 48.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.324 -0.86 . . . . 0.0 110.248 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -57.18 151.13 16.13 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.443 -0.786 . . . . 0.0 109.124 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -57.54 136.39 56.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.291 -0.88 . . . . 0.0 110.113 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.59 ' NH1' ' OE1' ' A' ' 38' ' ' GLU . 78.8 mtt85 -122.38 171.45 9.06 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.1 m -56.7 167.42 0.75 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.224 -0.922 . . . . 0.0 109.96 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -55.6 -33.35 63.88 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.486 -0.759 . . . . 0.0 111.017 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.51 -43.13 55.67 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.811 -1.181 . . . . 0.0 109.202 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.6 tpt -65.26 -38.87 91.63 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.199 -0.938 . . . . 0.0 108.693 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.1 m -59.93 -39.94 87.22 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.482 -0.761 . . . . 0.0 109.269 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.7 98.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.338 -0.851 . . . . 0.0 108.749 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.2 tp -61.36 -39.9 92.31 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.326 -0.859 . . . . 0.0 108.999 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.31 90.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.284 -0.885 . . . . 0.0 109.324 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.7 m -60.74 -41.29 95.09 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.224 -0.922 . . . . 0.0 109.183 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.2 -39.22 94.01 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.272 -0.893 . . . . 0.0 109.415 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.6 tp -59.99 -44.61 94.39 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.297 -0.877 . . . . 0.0 109.576 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.3 tp -61.65 -37.91 85.75 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.165 -0.959 . . . . 0.0 108.603 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -59.48 -38.55 81.14 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.282 -1.006 . . . . 0.0 108.282 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' PHE . 44.7 m -60.13 -42.32 94.54 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 82.1 mt -57.52 -52.87 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.205 -0.935 . . . . 0.0 108.687 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -61.05 -36.8 80.54 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.9 -32.53 73.85 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' THR . 76.9 t80 -58.63 -51.09 71.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.395 -0.816 . . . . 0.0 108.88 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.5 mttp -61.04 -38.72 87.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.179 -0.951 . . . . 0.0 108.829 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -81.74 -1.44 47.11 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.5 -0.75 . . . . 0.0 109.496 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.486 ' OE2' ' OD1' ' A' ' 16' ' ' ASP . 87.7 tt0 -48.54 -33.24 9.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.406 -0.809 . . . . 0.0 110.236 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.488 ' CD1' ' SD ' ' A' ' 79' ' ' MET . 76.6 mt -67.52 -40.92 85.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 120.985 -1.072 . . . . 0.0 109.721 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.61 -0.33 35.51 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.17 -2.9 69.12 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.34 -46.73 82.2 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.163 -1.198 . . . . 0.0 109.781 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 70' ' ' GLU . 14.8 m -65.65 -33.05 74.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.164 -0.96 . . . . 0.0 108.848 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.95 -28.24 68.83 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.604 -0.685 . . . . 0.0 109.615 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.24 95.84 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.926 -1.109 . . . . 0.0 110.066 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.4 mt-10 -134.87 145.28 48.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.308 -0.87 . . . . 0.0 110.005 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 48.76 42.33 19.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.224 -0.923 . . . . 0.0 109.233 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.7 p -64.04 -37.51 87.71 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.386 -0.821 . . . . 0.0 110.278 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.41 -43.39 98.94 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.964 -1.085 . . . . 0.0 109.755 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -68.73 -47.57 65.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.274 -0.891 . . . . 0.0 110.588 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.4 m -62.97 -44.69 95.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.093 -1.005 . . . . 0.0 110.054 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.3 -39.83 81.93 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.315 -0.865 . . . . 0.0 110.278 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.406 ' O ' ' OG1' ' A' ' 81' ' ' THR . 76.8 t60 -61.3 -45.28 95.11 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.222 -0.924 . . . . 0.0 110.442 -178.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 72.0 t -67.35 -49.41 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.056 -1.028 . . . . 0.0 110.193 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.488 ' SD ' ' CD1' ' A' ' 63' ' ' ILE . 89.1 mtp -67.71 -46.49 72.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.088 -1.007 . . . . 0.0 110.636 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.516 ' O ' ' CG ' ' A' ' 84' ' ' HIS . 79.8 m-20 -66.54 -40.93 89.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.127 -0.983 . . . . 0.0 110.771 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 87.5 m -70.42 -49.16 51.68 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.179 -0.951 . . . . 0.0 111.45 -178.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.3 mt -71.74 -34.33 69.42 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.923 -1.111 . . . . 0.0 111.114 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.9 mt -79.25 -41.81 23.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 120.944 -1.097 . . . . 0.0 110.859 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 6.9 m-70 -67.6 -48.28 67.28 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.026 -1.046 . . . . 0.0 111.006 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -88.02 113.5 23.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.064 -1.022 . . . . 0.0 110.249 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -61.64 -37.1 82.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.36 -0.838 . . . . 0.0 110.031 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.38 -41.84 94.62 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.072 -1.017 . . . . 0.0 109.636 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -62.2 -33.04 73.8 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.162 -0.961 . . . . 0.0 108.673 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.6 -42.46 74.39 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.33 -0.856 . . . . 0.0 109.7 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 94' ' ' LEU . 35.8 tttt -66.18 -48.13 71.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.922 . . . . 0.0 110.632 -179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.476 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -63.89 -45.21 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.809 -1.182 . . . . 0.0 108.853 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.476 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 67.0 t80 -64.69 -45.14 87.91 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.528 ' SD ' ' CD2' ' A' ' 26' ' ' TYR . 27.5 ttp -68.23 -42.32 79.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.577 -0.702 . . . . 0.0 109.914 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 90' ' ' LYS . 30.5 tp -61.6 -40.67 95.63 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.142 -0.974 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -60.69 -48.33 82.27 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.198 -0.939 . . . . 0.0 109.506 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -70.88 -45.45 64.34 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.411 -0.806 . . . . 0.0 109.329 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.492 ' OG1' ' O ' ' A' ' 93' ' ' MET . 18.2 m -57.46 -43.51 84.07 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.439 -0.788 . . . . 0.0 109.788 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 91.4 mmm -66.98 -43.25 83.51 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.069 -1.019 . . . . 0.0 109.491 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.7 p -67.79 -36.4 80.38 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.273 -0.892 . . . . 0.0 109.083 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 31.5 tp -63.63 -42.02 98.2 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.427 -0.796 . . . . 0.0 109.227 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -60.88 -43.59 98.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.483 -0.76 . . . . 0.0 109.575 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -58.71 -41.08 85.48 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.281 -0.887 . . . . 0.0 109.578 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.67 -39.23 93.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.401 -0.812 . . . . 0.0 109.715 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -61.15 -41.41 96.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.103 -0.998 . . . . 0.0 109.397 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 79.0 mt -60.24 -45.05 94.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.212 -0.93 . . . . 0.0 109.402 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -60.85 -39.29 88.57 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.15 -0.969 . . . . 0.0 109.717 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.579 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -61.76 -39.37 91.4 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.215 -0.928 . . . . 0.0 109.986 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 78.1 mt -63.7 -44.28 94.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.008 -1.057 . . . . 0.0 109.553 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -79.02 -52.73 7.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.261 -0.899 . . . . 0.0 110.142 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -77.73 -23.33 49.4 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.371 -0.831 . . . . 0.0 110.337 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -112.56 155.46 16.24 Favored Glycine 0 N--CA 1.495 2.581 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -68.11 154.15 73.16 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.876 2.384 . . . . 0.0 111.844 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.581 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 30.1 m-90 -87.1 120.86 28.82 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.075 -1.016 . . . . 0.0 109.784 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.4 m-20 -134.61 166.76 22.17 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.343 -0.848 . . . . 0.0 109.28 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.5 m -64.04 -32.28 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.243 -0.911 . . . . 0.0 109.372 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.4 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.8 mtm -59.79 -41.5 91.29 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.303 -0.873 . . . . 0.0 109.454 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 67.2 mt -66.06 -37.02 84.77 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.246 -0.909 . . . . 0.0 109.178 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -57.79 -44.32 86.2 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.16 -0.963 . . . . 0.0 109.056 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -64.17 -40.05 95.29 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.416 -0.803 . . . . 0.0 109.482 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.5 m -61.79 -39.43 91.68 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.311 -0.868 . . . . 0.0 109.408 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 23.9 tp -63.63 -41.77 98.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.404 -0.81 . . . . 0.0 109.419 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -59.83 -39.71 86.01 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.131 -0.981 . . . . 0.0 109.493 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.7 m -63.35 -44.05 95.94 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.241 -0.912 . . . . 0.0 109.585 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 78.3 m -61.31 -46.97 88.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.175 -0.953 . . . . 0.0 109.454 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.19 -37.84 74.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.179 -0.951 . . . . 0.0 108.926 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -58.59 -39.9 81.7 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.271 -0.893 . . . . 0.0 108.955 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.53 -42.42 99.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.308 -0.87 . . . . 0.0 109.351 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -67.29 -42.72 83.3 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.146 -0.971 . . . . 0.0 109.827 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 133' ' ' HIS . 22.9 t -63.67 -43.44 96.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.228 -0.92 . . . . 0.0 110.059 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.661 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 60.2 m -68.31 -49.54 59.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.028 -1.045 . . . . 0.0 110.234 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 93.7 mt -65.97 -50.34 70.46 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.204 -0.935 . . . . 0.0 110.403 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' A' ' 136' ' ' LYS . 41.0 tp -65.51 -42.04 92.49 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.35 -0.844 . . . . 0.0 110.419 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . 0.436 ' CB ' ' O ' ' A' ' 129' ' ' SER . 22.7 t-80 -61.07 -49.58 76.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.089 -1.007 . . . . 0.0 110.477 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 34.8 tp -64.99 -43.54 92.24 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.05 -1.031 . . . . 0.0 109.728 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -87.21 0.92 54.6 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.4 -0.812 . . . . 0.0 110.354 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -52.26 -38.46 58.27 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.129 -0.982 . . . . 0.0 109.998 -179.416 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.84 -25.12 68.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.152 -0.967 . . . . 0.0 109.48 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -89.57 -4.53 57.82 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.231 -0.918 . . . . 0.0 110.21 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.2 mm -104.57 145.99 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.15 -0.969 . . . . 0.0 109.206 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.72 ' HG ' ' H ' ' A' ' 143' ' ' SER . 55.7 p -77.4 155.54 31.77 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.233 -0.917 . . . . 0.0 109.139 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.51 -37.97 73.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.231 -0.918 . . . . 0.0 109.717 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.0 m -74.0 -45.25 51.09 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.89 -1.131 . . . . 0.0 109.502 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.72 ' H ' ' HG ' ' A' ' 140' ' ' SER . 40.3 m -63.81 -45.51 89.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.892 . . . . 0.0 109.646 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.584 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.7 OUTLIER -62.04 -39.16 91.38 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.128 -0.982 . . . . 0.0 108.477 179.387 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . 0.426 ' N ' ' CG2' ' A' ' 144' ' ' THR . 0.3 OUTLIER -56.48 -42.37 78.14 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.348 -0.845 . . . . 0.0 109.063 179.677 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.1 m -61.53 -44.79 96.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.3 -0.875 . . . . 0.0 109.675 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.0 mp -62.37 -38.95 91.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.141 -0.975 . . . . 0.0 108.695 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.611 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -62.2 -36.82 83.09 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.342 -0.849 . . . . 0.0 109.058 179.3 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -62.27 -42.03 98.99 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.281 -0.887 . . . . 0.0 109.713 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -62.71 -42.45 99.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.088 -1.007 . . . . 0.0 108.976 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.552 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 89.1 mt -65.23 -40.67 89.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -58.55 -39.94 81.65 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -58.12 -42.73 86.38 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . 0.681 ' SG ' ' N ' ' A' ' 155' ' ' LYS . 1.6 p -64.68 -48.76 73.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.256 -0.903 . . . . 0.0 108.724 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . 0.681 ' N ' ' SG ' ' A' ' 154' ' ' CYS . 74.9 mttt -61.75 -35.07 77.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.235 -0.916 . . . . 0.0 109.043 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 21.3 mt -58.33 -48.52 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 O-C-N 121.288 -0.882 . . . . 0.0 109.731 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.581 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 58.8 t80 -63.66 -40.91 98.02 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 30.6 tp -60.24 -40.43 90.24 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.64 -0.663 . . . . 0.0 109.22 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.3 t -60.46 -39.58 88.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.21 -0.931 . . . . 0.0 108.677 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.541 ' NZ ' ' OXT' ' A' ' 167' ' ' GLY . 15.8 mtpt -61.51 -37.37 83.45 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.88 -38.16 87.28 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.53 86.91 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.425 -0.797 . . . . 0.0 109.111 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -81.77 -12.09 58.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.303 -0.873 . . . . 0.0 109.37 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.61 3.61 77.44 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -94.73 145.71 24.68 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.212 -1.169 . . . . 0.0 109.69 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.489 ' O ' ' OXT' ' A' ' 167' ' ' GLY . 41.6 mm -118.42 134.18 62.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.481 -0.762 . . . . 0.0 109.456 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.541 ' OXT' ' NZ ' ' A' ' 160' ' ' LYS . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 117.91 -1.494 . . . . 0.0 109.549 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.278 0.561 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 1.1 t -67.84 143.71 96.72 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.27 -0.894 . . . . 0.0 108.96 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -59.58 139.11 87.53 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.1 1.867 . . . . 0.0 112.237 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . 0.491 ' O ' ' O ' ' B' ' 182' ' ' ALA . 97.1 mt-10 -65.89 -27.63 68.35 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.452 -0.78 . . . . 0.0 110.101 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 34.7 mm -51.61 -43.93 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.122 -0.986 . . . . 0.0 109.98 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -59.35 -33.88 71.69 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.041 -1.037 . . . . 0.0 109.662 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 182' ' ' ALA . . . . . 0.491 ' O ' ' O ' ' B' ' 179' ' ' GLU . . . -101.23 147.74 25.92 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.251 -0.905 . . . . 0.0 109.545 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -83.33 141.64 31.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.148 -0.97 . . . . 0.0 109.444 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -58.61 143.18 47.17 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.231 -0.918 . . . . 0.0 109.556 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 185' ' ' VAL . . . . . 0.493 ' O ' ' OD1' ' B' ' 188' ' ' ASP . 13.8 p -150.66 -41.71 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.194 -0.941 . . . . 0.0 109.365 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -55.42 -32.12 62.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.346 -0.846 . . . . 0.0 109.521 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 53.5 t -57.92 -41.61 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -0.906 . . . . 0.0 109.973 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.652 ' OD1' ' N ' ' B' ' 189' ' ' ASP . 40.4 p30 -64.05 -27.05 68.85 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.857 -1.152 . . . . 0.0 109.578 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 189' ' ' ASP . . . . . 0.652 ' N ' ' OD1' ' B' ' 188' ' ' ASP . 39.1 t0 -61.16 -47.4 86.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.156 -0.965 . . . . 0.0 109.92 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.53 -42.77 74.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.307 -0.871 . . . . 0.0 110.201 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -57.93 -43.16 86.14 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.809 -1.182 . . . . 0.0 109.708 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.69 -38.35 88.99 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.14 -0.975 . . . . 0.0 109.135 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -61.75 -40.6 95.69 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.23 -0.919 . . . . 0.0 109.073 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -61.3 -42.14 98.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.333 -0.854 . . . . 0.0 109.381 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 22.8 tp -59.22 -43.24 92.33 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.261 -0.899 . . . . 0.0 109.153 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.27 95.47 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.389 -0.82 . . . . 0.0 109.028 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.12 -35.29 80.65 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.348 -0.845 . . . . 0.0 109.091 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -60.07 -44.15 94.96 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 109.093 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 8.1 tp -63.27 -43.01 99.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.194 -0.942 . . . . 0.0 109.21 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -59.02 -36.77 75.54 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.324 -0.86 . . . . 0.0 109.356 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.64 89.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.148 -0.97 . . . . 0.0 108.608 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.48 -38.49 87.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.526 -0.733 . . . . 0.0 109.197 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -87.7 -7.27 57.6 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.41 -0.806 . . . . 0.0 109.454 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 CA-C-O 117.911 -1.494 . . . . 0.0 109.531 179.912 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mtp . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.314 0.578 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.19 83.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.214 -0.929 . . . . 0.0 109.192 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.9 p -64.47 -34.92 79.33 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.156 -0.965 . . . . 0.0 108.947 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -58.94 -42.36 89.6 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.75 94.89 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.17 95.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.414 -0.804 . . . . 0.0 109.226 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -41.53 93.26 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.48 -37.15 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.461 -0.775 . . . . 0.0 109.045 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.83 -37.81 77.4 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.73 98.44 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.1 p -68.94 -33.42 73.69 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.403 -0.811 . . . . 0.0 108.822 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.535 ' CB ' HE21 ' A' ' 28' ' ' GLN . . . -58.92 -44.96 91.39 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.339 -0.851 . . . . 0.0 109.075 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -63.43 -44.7 93.79 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.242 -0.911 . . . . 0.0 108.993 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -61.79 -40.27 94.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.387 -0.821 . . . . 0.0 109.168 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.01 -41.71 98.36 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.463 -0.773 . . . . 0.0 109.244 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -58.8 -38.6 78.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.279 -0.888 . . . . 0.0 108.77 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -60.46 -29.34 68.98 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -83.52 -10.95 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.413 -0.804 . . . . 0.0 109.61 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.4 18.22 53.23 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.8 mt -95.7 54.23 1.52 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -1.127 . . . . 0.0 109.119 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.07 -34.44 66.23 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.3 mm -61.33 -51.64 70.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.124 -1.221 . . . . 0.0 109.756 -179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.449 HD12 HG22 ' A' ' 23' ' ' ILE . 20.2 mm -64.88 -44.14 96.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.31 -0.868 . . . . 0.0 109.304 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.18 -38.91 93.83 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.441 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 72.8 t80 -63.96 -47.43 80.47 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.041 -1.27 . . . . 0.0 110.765 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.655 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 54.0 t80 -60.59 -46.62 89.57 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.195 -0.941 . . . . 0.0 111.455 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 pp -67.56 -34.13 76.44 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.717 -1.239 . . . . 0.0 110.232 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.535 HE21 ' CB ' ' A' ' 12' ' ' ALA . 91.0 mm-40 -60.08 -39.99 88.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.601 -1.312 . . . . 0.0 108.215 178.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 90.6 mt -61.93 -39.19 91.21 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.667 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 87.6 t80 -64.82 -38.29 90.49 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.51 -0.744 . . . . 0.0 109.848 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.3 -45.91 92.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.191 -0.943 . . . . 0.0 110.106 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 p -66.88 -44.64 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.927 -1.108 . . . . 0.0 109.266 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.61 -34.14 73.8 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.047 -1.033 . . . . 0.0 108.746 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.3 tp -63.88 -42.68 97.42 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.281 -0.887 . . . . 0.0 109.418 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.11 -47.28 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.267 -0.895 . . . . 0.0 109.9 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.9 mp -62.8 -35.4 79.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.195 -0.941 . . . . 0.0 109.261 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.9 t -84.26 -0.75 53.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -0.902 . . . . 0.0 108.794 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -86.29 150.77 24.12 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.612 -0.68 . . . . 0.0 109.822 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -55.98 151.46 11.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.327 -0.858 . . . . 0.0 109.146 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -57.84 129.52 42.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 110.263 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -122.07 170.63 9.66 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.3 p -57.76 163.57 2.52 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.198 -0.939 . . . . 0.0 109.749 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -57.6 -27.65 62.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.642 -0.661 . . . . 0.0 110.89 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -52.99 -45.39 67.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.786 -1.196 . . . . 0.0 109.799 -178.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 50.0 tpp -68.36 -36.93 79.96 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.95 -1.094 . . . . 0.0 108.921 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.1 m -59.67 -40.94 89.46 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.413 -0.804 . . . . 0.0 109.13 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.56 97.91 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.257 -0.902 . . . . 0.0 108.826 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.2 tp -60.11 -39.26 85.58 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.346 -0.847 . . . . 0.0 109.201 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.86 92.66 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.347 -0.846 . . . . 0.0 109.25 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 m -60.43 -41.65 94.45 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.217 -0.927 . . . . 0.0 108.952 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.86 -38.08 86.91 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.349 -0.845 . . . . 0.0 108.877 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.9 tp -59.79 -42.85 94.3 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.289 -0.882 . . . . 0.0 109.261 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.3 tp -61.26 -38.99 88.7 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.221 -0.924 . . . . 0.0 108.715 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -59.6 -39.55 84.58 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 59' ' ' PHE . 53.3 m -60.42 -41.8 94.71 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.633 -0.667 . . . . 0.0 109.385 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.58 -54.42 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.208 -0.932 . . . . 0.0 109.162 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' OE2' ' NZ ' ' A' ' 61' ' ' LYS . 85.0 tt0 -63.32 -39.44 94.55 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.43 -31.66 70.14 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.484 -0.76 . . . . 0.0 108.983 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 55' ' ' THR . 70.3 t80 -59.02 -54.35 48.08 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.325 -0.859 . . . . 0.0 109.754 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -62.82 -44.14 96.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.078 -1.014 . . . . 0.0 109.594 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.429 ' NZ ' ' OE2' ' A' ' 57' ' ' GLU . 18.4 mttt -83.15 -2.48 55.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.418 -0.801 . . . . 0.0 110.521 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 58' ' ' ALA . 84.5 tt0 -49.33 -36.56 21.61 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.077 -1.015 . . . . 0.0 109.543 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.456 HG23 HD11 ' A' ' 63' ' ' ILE . 92.7 mt -78.54 -41.21 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.801 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.82 -6.05 59.98 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.54 -8.47 77.22 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -69.08 -42.7 75.85 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.127 -1.219 . . . . 0.0 109.809 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.0 t -61.21 -22.25 64.59 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.401 -0.812 . . . . 0.0 110.112 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -52.8 -27.82 19.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.195 -0.941 . . . . 0.0 109.355 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.56 -26.85 34.66 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.11 -0.994 . . . . 0.0 108.918 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.601 ' O ' ' N ' ' A' ' 72' ' ' SER . 95.4 mt-10 -108.43 176.69 5.03 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.541 -0.724 . . . . 0.0 109.711 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' GLU . 92.4 m-20 -43.12 -15.22 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.484 -0.76 . . . . 0.0 109.92 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.601 ' N ' ' O ' ' A' ' 70' ' ' GLU . 1.8 t -50.41 -32.13 16.84 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.988 -1.07 . . . . 0.0 108.73 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -58.57 -41.46 85.75 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -60.77 -40.71 93.58 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -60.47 -37.4 80.88 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.34 -40.33 90.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.351 -0.843 . . . . 0.0 109.023 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -60.72 -45.38 94.49 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.092 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.66 -48.93 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.28 -0.888 . . . . 0.0 109.89 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 89.3 mtp -66.93 -45.36 78.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.314 -0.866 . . . . 0.0 110.433 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.511 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 84.5 m-20 -63.02 -39.87 96.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.024 -1.048 . . . . 0.0 110.58 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.555 ' CG2' ' HZ1' ' A' ' 88' ' ' LYS . 63.2 m -64.75 -48.47 74.45 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.066 -1.021 . . . . 0.0 111.185 -178.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.1 mt -72.88 -34.08 66.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.054 -1.029 . . . . 0.0 110.974 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.9 mt -77.53 -41.54 29.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.0 -1.062 . . . . 0.0 111.062 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.511 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 64.5 m80 -67.52 -47.68 69.25 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.065 -1.022 . . . . 0.0 111.044 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -84.15 115.33 22.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.872 -1.143 . . . . 0.0 110.138 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -61.9 -37.95 86.53 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.396 -0.815 . . . . 0.0 109.869 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.6 -43.5 98.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.072 -1.017 . . . . 0.0 109.623 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.555 ' HZ1' ' CG2' ' A' ' 81' ' ' THR . 96.0 mttt -63.97 -32.96 74.68 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.167 -0.958 . . . . 0.0 108.854 179.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.61 -40.85 72.92 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.225 -0.922 . . . . 0.0 109.608 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -64.3 -48.46 75.57 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.346 -0.846 . . . . 0.0 109.972 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.7 pp -69.39 -39.02 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.386 -0.821 . . . . 0.0 109.341 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.513 ' CZ ' ' CE1' ' A' ' 96' ' ' PHE . 59.8 t80 -58.78 -45.41 89.87 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.655 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 83.7 mtp -64.44 -38.6 91.61 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.328 -0.858 . . . . 0.0 109.232 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.6 tp -60.97 -39.55 90.01 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.068 -1.02 . . . . 0.0 109.391 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -66.86 -49.18 66.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.205 -0.935 . . . . 0.0 110.081 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.513 ' CE1' ' CZ ' ' A' ' 92' ' ' TYR . 59.0 m-85 -79.05 -49.2 13.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.257 -0.902 . . . . 0.0 109.94 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.527 ' N ' ' O ' ' A' ' 93' ' ' MET . 20.6 m -52.8 -42.75 65.36 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.098 -1.002 . . . . 0.0 108.576 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 52.8 ttm -65.26 -39.69 92.96 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.491 ' OG ' ' O ' ' A' ' 96' ' ' PHE . 83.8 p -64.13 -34.12 77.34 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.454 -0.778 . . . . 0.0 109.39 179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 85.8 mt -63.46 -43.69 96.64 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.142 -0.974 . . . . 0.0 109.323 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.669 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 88.3 t80 -61.33 -44.33 97.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.908 . . . . 0.0 109.78 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -58.84 -39.94 82.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.22 -0.925 . . . . 0.0 109.377 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -61.79 -41.09 97.29 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.353 -0.842 . . . . 0.0 109.631 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.562 ' HZ2' ' C ' ' A' ' 120' ' ' SER . 31.7 mmtp -61.34 -40.87 95.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.143 -0.973 . . . . 0.0 109.501 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 75.9 mt -58.67 -45.76 88.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.116 -0.99 . . . . 0.0 109.124 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -62.61 -39.76 94.8 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.195 -0.941 . . . . 0.0 109.923 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.591 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.3 mt-30 -62.25 -41.6 98.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.183 -0.948 . . . . 0.0 110.041 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.53 -37.35 82.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.867 -1.146 . . . . 0.0 109.318 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.565 ' NZ ' ' OD1' ' A' ' 110' ' ' ASP . 15.7 ttpp -74.47 -52.62 11.47 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.477 -0.764 . . . . 0.0 110.772 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.565 ' OD1' ' NZ ' ' A' ' 109' ' ' LYS . 89.7 m-20 -98.1 -22.46 16.21 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.293 -0.88 . . . . 0.0 110.715 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.82 155.34 17.75 Favored Glycine 0 N--CA 1.494 2.517 0 C-N-CA 119.673 -1.251 . . . . 0.0 110.315 -178.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -69.74 154.21 68.07 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.93 2.42 . . . . 0.0 112.065 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.504 ' CD1' ' N ' ' A' ' 113' ' ' TRP . 0.8 OUTLIER -89.17 122.65 32.67 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.171 -0.956 . . . . 0.0 109.551 -179.807 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 42.4 t0 -135.12 164.87 26.68 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.298 -0.876 . . . . 0.0 109.26 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.468 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 4.2 m -61.66 -32.19 53.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.379 -0.825 . . . . 0.0 109.707 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 68.3 mtm -59.59 -40.45 87.45 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.271 -0.893 . . . . 0.0 109.855 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 71.4 mt -65.11 -38.15 89.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.182 -0.949 . . . . 0.0 109.547 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -61.87 -42.37 98.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.294 -0.879 . . . . 0.0 109.784 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -63.67 -43.16 97.51 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.27 -0.894 . . . . 0.0 109.806 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.562 ' C ' ' HZ2' ' A' ' 104' ' ' LYS . 18.8 m -63.17 -39.45 94.69 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.333 -0.854 . . . . 0.0 109.597 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.507 ' N ' ' NZ ' ' A' ' 104' ' ' LYS . 38.0 tp -62.92 -41.35 99.44 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.25 -0.906 . . . . 0.0 109.463 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.428 ' CZ2' ' CD2' ' A' ' 158' ' ' LEU . 65.4 m95 -60.33 -39.54 87.43 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.203 -0.935 . . . . 0.0 109.271 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 76.6 m -62.08 -45.19 94.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.234 -0.916 . . . . 0.0 109.488 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 82.4 m -61.28 -48.19 82.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.14 -0.975 . . . . 0.0 109.659 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 71.1 mt -60.35 -36.66 70.43 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 O-C-N 121.192 -0.943 . . . . 0.0 108.892 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.93 -39.72 82.42 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.293 -0.88 . . . . 0.0 108.779 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.35 -40.89 97.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.262 -0.899 . . . . 0.0 109.084 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -64.09 -42.63 96.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.275 -0.891 . . . . 0.0 109.805 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.8 t -61.72 -42.15 98.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.113 -0.992 . . . . 0.0 109.813 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.667 ' SG ' ' CD1' ' A' ' 30' ' ' TYR . 60.0 m -68.47 -49.2 61.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.145 -0.972 . . . . 0.0 110.093 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 94.8 mt -62.7 -50.4 79.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 O-C-N 121.17 -0.956 . . . . 0.0 110.439 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 136' ' ' LYS . 85.2 mt -67.22 -39.32 86.24 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.237 -0.914 . . . . 0.0 110.355 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -62.33 -49.65 74.73 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.134 -0.979 . . . . 0.0 110.269 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 35.0 tp -65.98 -42.81 89.35 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.058 -1.026 . . . . 0.0 109.802 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -86.86 1.36 52.71 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.292 -0.88 . . . . 0.0 110.272 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 132' ' ' LEU . 28.3 tptp -51.16 -37.77 48.25 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.178 -0.951 . . . . 0.0 109.981 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -63.92 -24.01 67.57 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.067 -1.021 . . . . 0.0 109.495 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -92.2 -3.08 56.08 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.204 -0.935 . . . . 0.0 110.487 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.9 mm -103.99 139.43 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.033 -1.042 . . . . 0.0 109.568 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 52.1 p -77.86 155.97 30.68 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.383 -0.823 . . . . 0.0 108.998 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -50.62 -50.37 54.38 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.034 -1.041 . . . . 0.0 109.624 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 38.8 m -67.08 -42.68 84.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.975 -1.078 . . . . 0.0 109.246 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.4 t -59.16 -38.28 79.38 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.284 -0.885 . . . . 0.0 108.758 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.574 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -63.9 -39.17 93.57 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.196 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . 0.587 ' C ' HD21 ' A' ' 145' ' ' ASN . 0.2 OUTLIER -58.79 -40.75 84.96 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.351 -0.843 . . . . 0.0 109.118 179.554 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.3 m -62.93 -48.64 78.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -0.868 . . . . 0.0 109.658 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 56.1 mt -65.54 -43.45 89.93 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.205 -0.934 . . . . 0.0 108.796 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.587 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -64.37 -33.47 75.92 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -60.25 -44.45 95.26 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.354 -0.841 . . . . 0.0 109.109 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -62.81 -41.67 99.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.178 -0.951 . . . . 0.0 108.934 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.73 -39.5 85.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.333 -0.855 . . . . 0.0 108.887 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -57.53 -41.52 81.05 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -58.34 -41.65 85.07 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . 0.669 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 70.2 m -62.85 -50.86 69.26 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.436 -0.79 . . . . 0.0 108.88 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -62.64 -37.54 86.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.313 -0.867 . . . . 0.0 109.322 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 31.7 mt -58.54 -48.66 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 O-C-N 121.246 -0.909 . . . . 0.0 110.146 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.487 ' OH ' ' OXT' ' A' ' 167' ' ' GLY . 1.6 t80 -63.62 -40.77 97.73 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.428 ' CD2' ' CZ2' ' A' ' 122' ' ' TRP . 38.5 tp -58.93 -40.34 84.31 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.5 m -61.96 -37.15 83.68 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.361 -0.837 . . . . 0.0 108.98 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 165' ' ' GLU . 34.8 mttm -61.03 -43.2 99.24 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.276 -0.89 . . . . 0.0 109.181 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 8.5 mp -68.52 -33.32 73.92 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.223 -0.923 . . . . 0.0 109.32 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.9 82.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -0.912 . . . . 0.0 109.259 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -85.16 -5.8 59.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.207 -0.933 . . . . 0.0 109.213 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.3 -2.64 78.68 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 160' ' ' LYS . 84.2 tt0 -95.46 148.44 22.48 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.336 -1.096 . . . . 0.0 109.51 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 8.3 tp -125.91 137.7 56.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.463 -0.773 . . . . 0.0 109.433 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.487 ' OXT' ' OH ' ' A' ' 157' ' ' TYR . . . . . . . . 0 N--CA 1.49 2.243 0 CA-C-O 117.944 -1.475 . . . . 0.0 109.534 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.302 0.572 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.88 153.04 95.85 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.22 -0.925 . . . . 0.0 109.435 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -60.5 -25.87 81.54 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.581 2.187 . . . . 0.0 112.197 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -105.16 140.86 37.68 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.359 -0.838 . . . . 0.0 109.49 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 69.9 mt -114.64 134.1 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.485 -0.759 . . . . 0.0 109.395 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -87.8 150.03 23.8 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.264 -0.897 . . . . 0.0 109.489 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -140.71 153.68 46.03 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.219 -0.925 . . . . 0.0 109.52 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -58.66 -33.62 70.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.344 -0.847 . . . . 0.0 109.598 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -94.09 139.62 30.76 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.25 -0.906 . . . . 0.0 109.561 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 38.6 t -115.18 140.05 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.513 -0.742 . . . . 0.0 109.427 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -52.67 -36.58 57.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.266 -0.896 . . . . 0.0 109.781 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 79.4 t -62.02 -43.43 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.179 -0.951 . . . . 0.0 109.426 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -62.53 -35.13 78.43 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.995 -1.065 . . . . 0.0 109.455 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -58.16 -46.41 85.76 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.304 -0.873 . . . . 0.0 110.619 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.32 -44.35 71.88 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.168 -0.958 . . . . 0.0 110.392 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -58.65 -42.48 88.46 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.679 -1.263 . . . . 0.0 109.609 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.72 -35.95 82.22 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.263 -0.898 . . . . 0.0 109.378 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -59.65 -43.03 94.04 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.313 -0.867 . . . . 0.0 109.23 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -62.96 -43.28 99.24 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.172 -0.955 . . . . 0.0 109.196 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.57 -41.4 98.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.383 -0.823 . . . . 0.0 108.896 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.87 81.74 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.308 -0.87 . . . . 0.0 109.406 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -64.48 -35.78 82.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.13 -0.981 . . . . 0.0 109.254 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -66.47 -42.99 86.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.082 -1.011 . . . . 0.0 109.215 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.61 -47.2 70.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.378 -0.826 . . . . 0.0 109.763 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -60.02 -36.35 77.04 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.146 -0.971 . . . . 0.0 109.427 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.34 86.2 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.192 -0.943 . . . . 0.0 108.663 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 18.8 tp -61.87 -38.8 89.63 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.391 -0.818 . . . . 0.0 109.233 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -94.87 0.26 54.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 0.0 109.451 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 118.032 -1.427 . . . . 0.0 109.588 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.49 ' CB ' ' SD ' ' A' ' 45' ' ' MET . . . -59.85 -39.04 83.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.184 -0.948 . . . . 0.0 109.127 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -63.47 -39.17 93.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.231 -0.918 . . . . 0.0 109.035 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.85 -40.12 79.36 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.68 94.09 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.71 95.83 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.498 -0.751 . . . . 0.0 109.251 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.646 ' NH2' ' SG ' ' A' ' 123' ' ' CYS . 0.0 OUTLIER -60.33 -43.16 96.66 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.182 -0.949 . . . . 0.0 108.557 179.547 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.05 -37.1 76.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 121.455 -0.778 . . . . 0.0 108.979 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.49 -37.84 76.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.03 -41.14 96.0 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 p -70.57 -35.29 72.99 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.401 -0.812 . . . . 0.0 108.841 179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.31 -48.2 77.18 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.368 -0.832 . . . . 0.0 108.794 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -63.57 -38.34 90.74 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.287 -0.883 . . . . 0.0 108.837 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -60.01 -41.85 93.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.357 -0.839 . . . . 0.0 109.779 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -62.95 -41.29 99.46 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.225 -0.922 . . . . 0.0 109.554 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -58.73 -40.12 82.85 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.141 -0.974 . . . . 0.0 109.056 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -62.23 -32.85 73.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.375 -0.828 . . . . 0.0 109.586 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.8 t -84.44 -8.2 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.382 -0.824 . . . . 0.0 109.655 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.62 7.68 68.72 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.1 mp -95.95 49.85 1.17 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.259 -1.142 . . . . 0.0 109.035 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.48 -29.05 52.72 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.6 mm -58.33 -48.68 84.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 121.161 -1.199 . . . . 0.0 109.737 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mm -65.44 -45.44 92.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.073 -1.017 . . . . 0.0 109.37 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.97 -37.32 92.49 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.446 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 68.8 t80 -64.38 -47.64 78.48 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.341 -1.094 . . . . 0.0 111.002 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.668 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 81.0 t80 -62.4 -47.09 85.67 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.049 -1.032 . . . . 0.0 111.098 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 pp -67.45 -32.53 73.45 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.782 -1.198 . . . . 0.0 109.295 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -59.97 -41.91 92.98 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.446 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 87.4 mt -61.66 -37.89 85.7 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 178.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.662 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 79.4 t80 -64.99 -36.59 84.88 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.335 -0.853 . . . . 0.0 109.296 179.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.31 -46.05 91.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.341 -0.849 . . . . 0.0 110.251 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -64.69 -42.27 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.875 -1.141 . . . . 0.0 109.195 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.6 -35.52 78.08 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.904 -1.122 . . . . 0.0 108.875 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 27.0 tp -64.29 -42.24 96.49 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.297 -0.877 . . . . 0.0 109.93 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.38 -48.29 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.157 -0.965 . . . . 0.0 110.122 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.6 mp -65.52 -36.49 84.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.293 -0.88 . . . . 0.0 109.396 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.2 p -75.19 -20.12 59.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.244 -0.91 . . . . 0.0 108.79 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.525 ' OE2' ' NE ' ' A' ' 41' ' ' ARG . 84.3 tt0 -80.56 150.78 29.44 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.772 -0.58 . . . . 0.0 109.738 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.53 150.18 15.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -0.9 . . . . 0.0 109.531 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -58.44 141.05 52.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.418 -0.802 . . . . 0.0 110.32 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.525 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 83.6 mtt-85 -122.48 170.52 9.9 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.674 -0.641 . . . . 0.0 109.42 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 p -57.53 169.57 0.65 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.17 -0.956 . . . . 0.0 109.867 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.47 -32.08 64.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.539 -0.726 . . . . 0.0 110.716 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.85 -41.92 58.29 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.889 -1.132 . . . . 0.0 109.213 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.49 ' SD ' ' CB ' ' A' ' 2' ' ' ALA . 7.5 tpt -64.56 -38.98 92.87 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.281 -0.887 . . . . 0.0 108.778 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.5 m -60.99 -40.01 91.84 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.561 -0.712 . . . . 0.0 109.458 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.87 99.62 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.305 -0.872 . . . . 0.0 109.004 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.43 -37.23 85.05 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.314 -0.866 . . . . 0.0 109.111 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.89 92.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.25 -0.906 . . . . 0.0 108.805 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.0 m -61.63 -40.97 96.76 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.447 -0.783 . . . . 0.0 109.135 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.01 -41.71 97.06 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.314 -0.866 . . . . 0.0 109.243 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.4 mt -60.79 -39.34 88.52 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.19 -0.943 . . . . 0.0 109.077 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.407 ' CD2' ' NH1' ' B' ' 198' ' ' ARG . 19.3 tp -60.38 -40.08 89.57 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.202 -0.936 . . . . 0.0 108.757 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -59.91 -40.42 88.79 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.7 m -60.42 -41.2 93.48 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.574 -0.704 . . . . 0.0 109.488 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 78.2 mt -58.64 -51.69 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.937 . . . . 0.0 108.953 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.96 -36.51 81.66 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -68.56 -31.37 70.53 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' THR . 72.9 t80 -58.52 -53.97 52.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.343 -0.848 . . . . 0.0 108.974 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.89 -39.86 93.4 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.113 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -82.41 -1.98 51.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.393 -0.817 . . . . 0.0 109.988 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 58' ' ' ALA . 20.1 pt-20 -49.1 -31.1 7.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.198 -0.938 . . . . 0.0 110.157 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.1 pt -68.25 -34.02 63.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.05 -1.031 . . . . 0.0 109.75 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.32 -3.99 13.92 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.41 0.18 65.31 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.2 -45.37 85.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.141 -1.211 . . . . 0.0 109.436 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.8 m -62.6 -31.57 72.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.432 -0.792 . . . . 0.0 109.308 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.64 -28.59 67.36 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.398 -0.814 . . . . 0.0 109.814 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.08 97.43 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.062 -1.024 . . . . 0.0 110.283 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -134.68 145.38 48.48 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.286 -0.883 . . . . 0.0 109.968 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 48.64 42.62 19.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.286 -0.884 . . . . 0.0 109.182 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.51 ' HG ' ' N ' ' A' ' 73' ' ' ASP . 80.8 p -63.32 -38.41 91.06 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.314 -0.866 . . . . 0.0 110.163 -179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.51 ' N ' ' HG ' ' A' ' 72' ' ' SER . 89.7 m-20 -62.85 -41.91 99.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.031 -1.043 . . . . 0.0 109.878 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -65.03 -44.95 87.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.283 -0.885 . . . . 0.0 110.593 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.8 p -64.85 -41.49 95.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.991 -1.068 . . . . 0.0 110.134 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 96.2 mt -68.26 -38.26 81.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 109.922 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.454 ' O ' ' OG1' ' A' ' 81' ' ' THR . 75.8 t60 -61.66 -45.54 93.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.282 -0.886 . . . . 0.0 110.302 -179.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.4 t -69.28 -49.61 59.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.2 -0.937 . . . . 0.0 110.118 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 89.1 mtp -67.62 -46.32 72.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.036 -1.04 . . . . 0.0 110.127 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.602 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 56.9 t-20 -66.54 -44.01 83.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.34 -0.85 . . . . 0.0 111.034 -179.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 58.1 m -68.91 -48.99 61.96 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.169 -0.957 . . . . 0.0 111.96 -178.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.5 mt -72.38 -34.15 67.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.85 -1.157 . . . . 0.0 111.508 -178.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.7 mt -79.28 -42.3 23.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 120.95 -1.094 . . . . 0.0 111.339 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.602 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 72.9 m80 -74.58 -48.16 28.3 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.014 -1.054 . . . . 0.0 111.306 -178.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -85.07 110.64 19.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.799 -1.188 . . . . 0.0 109.997 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -61.76 -36.52 81.28 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.474 -0.766 . . . . 0.0 110.148 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.84 -43.35 94.66 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.096 -1.002 . . . . 0.0 109.8 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -64.01 -33.22 75.25 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.125 -0.984 . . . . 0.0 108.532 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.76 75.48 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.202 -0.936 . . . . 0.0 109.569 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.622 ' HZ1' ' CB ' ' A' ' 135' ' ' TRP . 16.8 tttp -62.23 -48.69 78.84 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.155 -0.966 . . . . 0.0 111.071 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.608 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -64.95 -38.45 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 120.618 -1.301 . . . . 0.0 108.76 -178.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.608 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 61.6 t80 -63.09 -43.8 97.49 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.668 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 73.9 mtm -70.38 -41.54 72.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.612 -0.68 . . . . 0.0 110.001 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.06 -40.61 94.32 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.092 -1.005 . . . . 0.0 109.213 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -63.02 -45.69 91.12 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.373 -0.829 . . . . 0.0 109.482 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -65.0 -43.05 93.81 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.39 -0.819 . . . . 0.0 109.598 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 64.8 p -59.76 -43.44 94.32 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.332 -0.855 . . . . 0.0 109.735 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.9 ttp -63.6 -44.84 92.82 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.251 -0.906 . . . . 0.0 109.036 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.7 t -68.82 -42.18 77.57 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.435 -0.79 . . . . 0.0 109.896 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.6 tp -65.13 -41.56 94.7 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.304 -0.872 . . . . 0.0 110.143 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.558 ' OH ' ' SG ' ' A' ' 154' ' ' CYS . 87.2 t80 -63.72 -45.69 88.81 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.2 -0.937 . . . . 0.0 110.146 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -59.61 -41.46 90.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.15 -0.969 . . . . 0.0 109.639 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.23 -40.86 95.62 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.311 -0.868 . . . . 0.0 109.738 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -62.36 -40.98 98.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.252 -0.905 . . . . 0.0 109.932 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.36 -44.73 92.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.135 -0.978 . . . . 0.0 109.356 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -60.75 -38.88 86.68 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.193 -0.942 . . . . 0.0 109.695 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.591 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.7 mt-30 -62.17 -39.61 93.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.255 -0.903 . . . . 0.0 109.992 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 63.1 mt -66.11 -37.85 86.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.978 -1.076 . . . . 0.0 109.506 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -78.02 -53.0 7.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.316 -0.865 . . . . 0.0 110.446 -179.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -89.6 -22.71 22.21 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.281 -0.887 . . . . 0.0 110.65 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -102.89 154.58 18.26 Favored Glycine 0 N--CA 1.493 2.49 0 C-N-CA 119.698 -1.239 . . . . 0.0 110.289 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.84 154.34 63.52 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 122.938 2.425 . . . . 0.0 111.983 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.586 ' CE2' ' OH ' ' A' ' 157' ' ' TYR . 25.9 m-90 -86.95 122.35 30.68 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.208 -0.932 . . . . 0.0 109.482 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 86.9 m-20 -134.64 166.09 23.72 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.357 -0.839 . . . . 0.0 109.366 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.6 m -64.1 -32.6 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.282 -0.887 . . . . 0.0 109.333 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -59.64 -40.8 88.84 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.415 -0.803 . . . . 0.0 109.647 -179.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.91 -37.71 88.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.393 -0.817 . . . . 0.0 109.514 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -59.48 -44.09 93.12 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.182 -0.949 . . . . 0.0 109.387 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 68.4 mtt85 -63.77 -40.56 96.99 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.27 -0.894 . . . . 0.0 109.511 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.0 p -64.8 -34.43 78.33 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.235 -0.916 . . . . 0.0 109.262 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 27.2 tp -64.82 -42.49 94.94 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.38 -0.825 . . . . 0.0 109.245 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -60.95 -40.28 92.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.282 -0.886 . . . . 0.0 109.338 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.646 ' SG ' ' NH2' ' A' ' 7' ' ' ARG . 73.2 m -62.07 -43.19 99.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.188 -0.945 . . . . 0.0 109.55 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -46.96 86.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.197 -0.939 . . . . 0.0 109.845 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.8 mt -60.34 -38.82 78.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.147 -0.971 . . . . 0.0 109.178 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.524 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.3 m-20 -61.57 -40.56 95.16 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.307 -0.871 . . . . 0.0 109.859 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.24 -45.06 95.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.127 -0.983 . . . . 0.0 109.874 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.432 ' CE2' ' NH2' ' A' ' 150' ' ' ARG . 30.2 t80 -72.05 -43.13 65.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.126 -0.984 . . . . 0.0 109.56 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.5 m -63.11 -38.64 91.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.298 -0.876 . . . . 0.0 109.92 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.662 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 82.8 m -65.98 -49.46 67.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.145 -0.972 . . . . 0.0 109.765 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.78 -47.73 89.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.19 -0.944 . . . . 0.0 109.699 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 136' ' ' LYS . 39.5 tp -61.74 -38.98 89.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.354 -0.842 . . . . 0.0 109.798 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -60.36 -49.65 76.74 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.256 -0.902 . . . . 0.0 110.258 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.13 -42.95 88.44 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.174 -0.954 . . . . 0.0 109.703 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.622 ' CB ' ' HZ1' ' A' ' 90' ' ' LYS . 97.1 m95 -86.93 2.46 49.24 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.27 -0.894 . . . . 0.0 109.919 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 132' ' ' LEU . 19.7 tptm -51.53 -38.44 54.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.227 -0.921 . . . . 0.0 110.099 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.84 -21.9 66.01 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.238 -0.913 . . . . 0.0 109.778 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -92.16 -6.24 51.1 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.157 -0.964 . . . . 0.0 110.661 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.8 mm -104.63 146.86 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.158 -0.964 . . . . 0.0 109.48 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.8 m -77.01 155.06 32.85 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.325 -0.859 . . . . 0.0 109.207 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -57.36 -39.13 75.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.162 -0.961 . . . . 0.0 109.858 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 41.1 m -75.18 -45.08 42.91 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.78 -1.2 . . . . 0.0 109.996 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 47.2 m -61.65 -46.41 89.89 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.178 -0.951 . . . . 0.0 110.077 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' A' ' 145' ' ' ASN . 14.1 t -64.79 -39.87 94.31 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.982 -1.073 . . . . 0.0 108.321 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . 0.593 ' C ' HD21 ' A' ' 145' ' ' ASN . 0.1 OUTLIER -54.41 -41.15 68.97 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.363 -0.836 . . . . 0.0 108.765 179.243 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.9 m -62.68 -45.31 93.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.363 -0.836 . . . . 0.0 109.175 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 60.1 mt -65.77 -44.65 85.17 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 108.804 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -61.72 -34.6 76.09 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -61.31 -41.93 97.81 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.503 -0.748 . . . . 0.0 108.983 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.432 ' NH2' ' CE2' ' A' ' 128' ' ' PHE . 60.0 ttp180 -60.06 -42.08 93.75 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.201 -0.937 . . . . 0.0 108.532 179.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.02 -38.62 79.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -57.71 -41.36 81.57 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -57.98 -42.78 85.81 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . 0.558 ' SG ' ' OH ' ' A' ' 101' ' ' TYR . 5.2 m -62.86 -50.62 70.21 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -62.44 -34.41 76.73 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.405 -0.809 . . . . 0.0 109.411 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 18.9 mt -58.26 -49.24 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 O-C-N 121.222 -0.924 . . . . 0.0 110.227 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.586 ' OH ' ' CE2' ' A' ' 113' ' ' TRP . 61.8 t80 -64.43 -41.18 96.74 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 34.7 tp -59.55 -41.47 90.2 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 121.409 0.623 . . . . 0.0 109.345 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.2 m -60.88 -39.68 90.14 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.147 -0.971 . . . . 0.0 108.834 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -61.54 -38.09 86.16 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.304 -0.873 . . . . 0.0 108.907 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 73.9 mt -62.15 -37.84 86.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.228 -0.92 . . . . 0.0 108.707 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.53 -36.93 85.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.39 -0.819 . . . . 0.0 109.106 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -81.81 -10.66 59.27 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.346 -0.846 . . . . 0.0 109.371 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.51 1.03 72.01 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.67 147.6 23.13 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.165 -1.197 . . . . 0.0 109.706 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 37.4 mm -116.69 135.36 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.526 -0.734 . . . . 0.0 109.503 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.93 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.84 135.88 92.24 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.209 -0.932 . . . . 0.0 109.008 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -64.44 145.78 88.44 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.848 1.699 . . . . 0.0 112.112 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.64 -35.47 78.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.237 -0.915 . . . . 0.0 109.528 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 70.3 mt -118.8 129.7 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.384 -0.823 . . . . 0.0 109.526 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -60.08 -35.93 76.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.246 -0.909 . . . . 0.0 109.437 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -65.48 146.27 55.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.287 -0.883 . . . . 0.0 109.555 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -92.66 142.75 27.03 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.241 -0.912 . . . . 0.0 109.564 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.67 -31.41 72.29 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.327 -0.858 . . . . 0.0 109.504 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 15.1 m -64.38 -34.08 66.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.282 -0.886 . . . . 0.0 109.745 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -56.59 -35.02 67.75 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 109.594 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 73.9 t -61.0 -41.33 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.222 -0.924 . . . . 0.0 109.507 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -59.77 -34.12 72.58 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.934 -1.104 . . . . 0.0 109.543 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -57.3 -48.01 80.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.327 -0.858 . . . . 0.0 110.624 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.92 -40.13 83.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.147 -0.971 . . . . 0.0 109.899 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -58.09 -41.26 83.1 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.849 -1.157 . . . . 0.0 109.28 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.56 -38.22 90.26 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.156 -0.965 . . . . 0.0 108.948 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.21 -40.51 90.4 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.374 -0.829 . . . . 0.0 108.851 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -61.84 -40.13 94.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 0.0 109.202 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.49 -40.64 87.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.252 -0.905 . . . . 0.0 109.067 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.08 -37.65 85.87 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.259 -0.901 . . . . 0.0 108.873 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.19 -35.28 80.58 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.363 -0.836 . . . . 0.0 109.205 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . 0.407 ' NH1' ' CD2' ' A' ' 53' ' ' LEU . 81.6 mtp180 -62.39 -42.5 99.47 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.228 -0.92 . . . . 0.0 109.238 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 7.6 tp -63.06 -44.95 94.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.191 -0.943 . . . . 0.0 108.99 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -60.58 -37.61 81.9 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.346 -0.846 . . . . 0.0 108.993 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.91 81.87 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.209 -0.932 . . . . 0.0 108.583 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.7 -39.53 84.88 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -97.31 1.25 49.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.399 -0.813 . . . . 0.0 109.542 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 117.961 -1.466 . . . . 0.0 109.596 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.351 0.596 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.25 -41.07 87.89 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.153 -0.967 . . . . 0.0 109.233 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -63.61 -37.74 88.48 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.191 -0.943 . . . . 0.0 108.981 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -56.45 -42.6 78.41 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.5 94.47 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.61 93.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.341 -0.849 . . . . 0.0 109.534 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -40.6 91.09 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.059 -1.026 . . . . 0.0 108.571 179.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.11 -37.18 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.48 -0.763 . . . . 0.0 109.433 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.61 -40.1 83.55 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.152 -0.968 . . . . 0.0 108.487 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.82 82.19 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.248 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.18 -34.36 78.2 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.79 -41.85 96.43 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.304 -0.872 . . . . 0.0 108.68 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -61.14 -38.75 87.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.339 -0.85 . . . . 0.0 108.775 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -58.55 -42.82 88.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.2 -0.938 . . . . 0.0 109.315 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -62.2 -40.84 97.4 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.317 -0.865 . . . . 0.0 109.422 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' OD1' ' OE2' ' A' ' 62' ' ' GLU . 53.0 t0 -58.68 -37.94 77.13 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.214 -0.929 . . . . 0.0 108.934 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -61.38 -32.47 72.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.44 -0.788 . . . . 0.0 109.078 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.6 t -83.83 -12.87 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.417 -0.802 . . . . 0.0 109.561 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.3 18.48 52.92 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.5 mt -95.83 54.66 1.53 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.344 -1.092 . . . . 0.0 109.2 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.19 -28.79 50.74 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 mm -58.36 -50.55 78.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 O-C-N 121.119 -1.224 . . . . 0.0 109.509 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.437 HD12 HG22 ' A' ' 23' ' ' ILE . 25.1 mm -63.85 -42.47 95.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.239 -0.913 . . . . 0.0 108.771 179.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.05 -40.38 95.49 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.43 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 71.0 t80 -62.75 -47.97 81.2 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.089 -1.242 . . . . 0.0 111.154 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.663 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 46.8 t80 -64.45 -47.03 80.59 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.965 -1.084 . . . . 0.0 111.497 -178.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 pp -67.32 -34.73 77.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.704 -1.248 . . . . 0.0 110.075 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.11 -39.63 86.87 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.566 -1.334 . . . . 0.0 108.079 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.43 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 92.2 mt -62.76 -37.2 85.68 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -67.21 -37.36 83.49 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.269 -0.894 . . . . 0.0 109.399 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.5 93.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.309 -0.869 . . . . 0.0 110.369 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.41 ' CG1' ' O ' ' A' ' 29' ' ' LEU . 2.2 p -64.08 -42.82 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.88 -1.138 . . . . 0.0 108.832 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.65 -34.64 76.05 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.998 -1.064 . . . . 0.0 108.743 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.6 tp -63.22 -43.15 98.91 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.49 -0.756 . . . . 0.0 109.806 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.81 -48.1 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 O-C-N 121.087 -1.008 . . . . 0.0 109.709 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.486 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.4 mp -65.05 -36.44 84.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.292 -0.88 . . . . 0.0 109.417 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.4 p -72.77 -20.89 61.09 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.58 ' OE2' ' NE ' ' A' ' 41' ' ' ARG . 80.0 tt0 -78.34 151.33 32.96 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.58 151.0 11.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.288 -0.882 . . . . 0.0 109.507 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.11 130.39 46.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.444 -0.785 . . . . 0.0 110.088 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.58 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 96.4 mtt-85 -122.3 170.94 9.42 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.766 -0.584 . . . . 0.0 109.681 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.8 p -57.52 169.04 0.71 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.338 -0.851 . . . . 0.0 110.555 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.552 ' NE2' ' OD2' ' B' ' 188' ' ' ASP . 94.4 mt-30 -56.65 -24.73 50.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.858 -0.526 . . . . 0.0 111.317 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.57 -44.73 47.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.718 -1.239 . . . . 0.0 109.678 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -36.08 79.02 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.947 -1.095 . . . . 0.0 109.132 178.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.5 m -59.61 -41.91 91.45 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.311 -0.868 . . . . 0.0 109.252 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.27 95.12 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.163 -0.961 . . . . 0.0 108.812 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.98 -38.07 89.66 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.336 -0.853 . . . . 0.0 109.108 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.9 87.15 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.257 -0.902 . . . . 0.0 108.692 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 m -62.92 -38.17 89.92 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.371 -0.83 . . . . 0.0 109.188 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.98 -43.98 98.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.385 -0.822 . . . . 0.0 109.987 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.0 mp -63.66 -39.64 94.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.991 -1.068 . . . . 0.0 109.353 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.3 tp -59.8 -40.37 88.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.17 -0.956 . . . . 0.0 108.773 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -61.66 -38.18 86.81 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 43.3 m -60.05 -41.97 93.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.661 -0.649 . . . . 0.0 109.746 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.0 mt -58.15 -49.77 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.117 -0.989 . . . . 0.0 109.18 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -62.23 -37.55 85.82 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.7 -34.73 77.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.481 -0.762 . . . . 0.0 109.044 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -58.97 -53.91 53.08 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.231 -0.918 . . . . 0.0 109.361 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.426 ' NZ ' ' CG2' ' A' ' 83' ' ' ILE . 26.9 mttm -59.81 -41.17 90.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.147 -0.971 . . . . 0.0 109.345 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -82.8 -2.4 54.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.403 -0.811 . . . . 0.0 110.067 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.489 ' OE2' ' OD1' ' A' ' 16' ' ' ASP . 86.6 tt0 -49.41 -35.25 18.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.122 -0.986 . . . . 0.0 109.919 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.404 ' CD1' ' SD ' ' A' ' 79' ' ' MET . 79.6 mt -68.55 -40.33 81.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.111 -0.993 . . . . 0.0 109.769 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.42 -5.22 60.91 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.14 -3.02 79.91 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -64.86 -47.11 79.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.055 -1.262 . . . . 0.0 108.531 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 t -70.74 -31.11 67.83 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.15 -29.5 65.63 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.663 -0.648 . . . . 0.0 109.802 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.24 -35.69 67.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.957 -1.089 . . . . 0.0 109.822 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -111.19 137.2 49.18 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.331 -0.856 . . . . 0.0 109.466 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 50.8 45.3 27.44 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.181 -0.95 . . . . 0.0 108.768 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.8 p -56.63 -35.16 68.02 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.482 -0.762 . . . . 0.0 110.324 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.59 ' O ' ' CD2' ' A' ' 77' ' ' HIS . 30.4 p-10 -64.89 -43.94 91.28 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.03 -1.044 . . . . 0.0 110.493 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.567 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 98.5 mttt -64.46 -38.37 90.79 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.21 -0.932 . . . . 0.0 109.962 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.3 m -63.08 -44.92 94.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 0.0 110.063 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.29 -39.29 82.13 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.279 -0.888 . . . . 0.0 110.015 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 72.0 m-70 -59.25 -45.17 91.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.152 -0.968 . . . . 0.0 110.353 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.4 t -67.85 -49.46 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.059 -1.026 . . . . 0.0 110.302 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.41 ' O ' ' CG1' ' A' ' 83' ' ' ILE . 70.2 mtm -67.94 -46.27 71.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.121 -0.987 . . . . 0.0 110.785 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -69.29 -43.08 74.57 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.925 -1.11 . . . . 0.0 111.472 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.1 m -69.01 -49.32 58.78 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.12 -0.988 . . . . 0.0 111.941 -178.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.9 mt -73.21 -33.63 65.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.966 -1.084 . . . . 0.0 111.549 -177.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.426 ' CG2' ' NZ ' ' A' ' 60' ' ' LYS . 76.3 mt -79.4 -40.31 21.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 120.884 -1.135 . . . . 0.0 111.698 -178.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -83.76 -36.67 23.44 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.88 -1.138 . . . . 0.0 111.951 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -86.17 114.61 23.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.64 -1.287 . . . . 0.0 110.157 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.496 ' CG ' ' N ' ' A' ' 87' ' ' GLU . 10.5 pt20 -62.23 -41.12 98.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.586 -0.697 . . . . 0.0 110.566 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.496 ' N ' ' CG ' ' A' ' 86' ' ' GLN . 97.0 mt-10 -63.3 -40.09 96.38 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.241 -0.912 . . . . 0.0 110.416 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -60.6 -32.4 71.53 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.935 -1.103 . . . . 0.0 108.663 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.44 -41.66 72.57 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.262 -0.898 . . . . 0.0 109.212 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 94' ' ' LEU . 28.1 tttt -65.19 -48.59 72.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.213 -0.929 . . . . 0.0 110.752 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.407 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -63.53 -41.8 93.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 120.824 -1.173 . . . . 0.0 108.938 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.407 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 55.4 t80 -64.17 -48.85 74.35 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.663 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 83.4 mtp -68.09 -40.36 82.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.377 -0.827 . . . . 0.0 109.757 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 90' ' ' LYS . 31.5 tp -60.39 -39.15 86.28 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -61.15 -44.75 96.83 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.407 -0.808 . . . . 0.0 108.884 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -65.19 -43.37 91.84 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.474 -0.766 . . . . 0.0 109.482 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.5 ' HG1' ' N ' ' A' ' 98' ' ' MET . 63.7 p -59.81 -42.54 93.69 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.235 -0.916 . . . . 0.0 109.533 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.5 ' N ' ' HG1' ' A' ' 97' ' ' THR . 60.2 ttp -60.38 -45.55 93.13 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.327 -0.858 . . . . 0.0 108.852 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 m -67.02 -41.55 86.43 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.388 -0.82 . . . . 0.0 109.174 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.5 tp -64.41 -39.01 93.03 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.4 -0.813 . . . . 0.0 109.542 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -61.6 -48.26 81.74 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.304 -0.873 . . . . 0.0 110.05 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -63.87 -47.18 81.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.074 -1.016 . . . . 0.0 109.483 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.15 -34.84 79.35 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.427 -0.796 . . . . 0.0 109.577 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -60.81 -46.0 92.24 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.192 -0.942 . . . . 0.0 109.529 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.88 -46.51 90.31 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.253 -0.904 . . . . 0.0 109.17 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -60.78 -37.35 81.59 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 121.098 -1.001 . . . . 0.0 109.076 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 111' ' ' GLY . 63.2 tt0 -60.59 -39.57 88.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.331 -0.856 . . . . 0.0 109.363 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.05 -43.0 99.84 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.165 -0.96 . . . . 0.0 109.494 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -78.61 -52.36 8.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.272 -0.892 . . . . 0.0 110.094 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -77.44 -23.51 50.5 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.418 -0.801 . . . . 0.0 110.314 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.594 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -105.86 154.12 17.03 Favored Glycine 0 N--CA 1.494 2.557 0 C-N-CA 119.729 -1.224 . . . . 0.0 110.268 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -71.54 154.22 60.18 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.901 2.401 . . . . 0.0 112.053 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.413 ' O ' ' OD1' ' A' ' 114' ' ' ASP . 15.3 m-90 -94.17 120.44 34.42 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.154 -0.966 . . . . 0.0 109.627 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.3 m-20 -134.91 163.42 29.87 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.345 -0.847 . . . . 0.0 108.882 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -59.83 -36.74 68.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 O-C-N 120.972 -1.08 . . . . 0.0 108.661 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.457 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 1.8 mpp? -60.59 -40.57 92.26 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.532 -0.73 . . . . 0.0 109.34 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.409 ' O ' ' OG ' ' A' ' 120' ' ' SER . 8.6 tt -62.56 -39.69 94.46 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.406 -0.809 . . . . 0.0 109.382 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -60.15 -41.26 92.41 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.249 -0.907 . . . . 0.0 109.057 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -61.78 -40.22 94.42 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.417 -0.802 . . . . 0.0 109.177 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 117' ' ' LEU . 86.5 p -64.63 -35.1 79.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.346 -0.846 . . . . 0.0 109.493 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.7 tt -64.44 -41.0 96.8 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.161 -0.962 . . . . 0.0 109.005 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -61.97 -39.38 91.94 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.294 -0.879 . . . . 0.0 109.16 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.65 -42.62 99.16 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.284 -0.885 . . . . 0.0 109.531 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 24.6 m -60.0 -44.9 94.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.185 -0.947 . . . . 0.0 109.384 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.51 -37.88 76.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.562 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.1 m-20 -61.82 -40.2 94.45 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.387 -0.821 . . . . 0.0 109.538 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.568 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 83.9 mt -58.88 -51.47 69.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.153 -0.967 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -72.67 -43.4 63.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.325 -0.86 . . . . 0.0 109.576 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.0 m -64.33 -38.79 92.28 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.37 -0.831 . . . . 0.0 110.489 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 127' ' ' LEU . 29.5 p -68.22 -50.37 54.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.984 -1.072 . . . . 0.0 109.904 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.531 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 83.5 mt -62.4 -46.15 97.09 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 O-C-N 121.022 -1.049 . . . . 0.0 109.204 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 136' ' ' LYS . 20.5 tp -61.08 -36.82 80.66 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.559 -0.713 . . . . 0.0 109.137 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -59.2 -46.56 88.1 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.368 -0.832 . . . . 0.0 110.257 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.78 -47.12 82.2 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.008 -1.058 . . . . 0.0 110.018 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -88.56 4.2 47.7 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.374 -0.829 . . . . 0.0 110.722 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 132' ' ' LEU . 2.4 tttm -53.42 -40.77 65.39 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.037 -1.04 . . . . 0.0 109.348 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.51 -17.46 64.17 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.33 -0.856 . . . . 0.0 109.179 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -88.95 -8.17 54.65 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.425 -0.797 . . . . 0.0 110.21 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.7 mt -108.61 147.04 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.242 -0.911 . . . . 0.0 109.595 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.577 ' HG ' ' H ' ' A' ' 143' ' ' SER . 56.3 p -77.15 154.92 32.7 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.33 -0.856 . . . . 0.0 109.333 -179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.85 -42.41 84.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.304 -0.873 . . . . 0.0 110.076 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.6 m -64.38 -46.44 83.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.893 -1.129 . . . . 0.0 109.47 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.577 ' H ' ' HG ' ' A' ' 140' ' ' SER . 24.9 m -64.87 -45.79 84.57 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.158 -0.964 . . . . 0.0 108.635 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.419 HG21 ' N ' ' A' ' 145' ' ' ASN . 0.5 OUTLIER -63.61 -39.94 95.65 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.158 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . 0.49 ' ND2' ' NZ ' ' A' ' 149' ' ' LYS . 8.9 t30 -49.9 -44.99 50.4 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.274 -0.891 . . . . 0.0 108.674 179.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.2 m -61.49 -42.05 98.2 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.679 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 147' ' ' LEU . 7.3 mp -66.5 -39.07 88.49 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.302 -0.873 . . . . 0.0 109.584 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -60.27 -37.55 80.79 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 118.812 -1.155 . . . . 0.0 108.096 179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.49 ' NZ ' ' ND2' ' A' ' 145' ' ' ASN . 21.0 mttt -61.86 -41.41 97.81 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.436 -0.79 . . . . 0.0 109.471 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -58.42 -42.44 87.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.086 -1.009 . . . . 0.0 108.675 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 31.3 mm -64.59 -41.36 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 12.8 tttm -57.61 -39.87 77.85 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -59.18 -44.17 92.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.345 -0.847 . . . . 0.0 108.778 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 3.8 m -61.9 -50.7 71.14 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.303 -0.873 . . . . 0.0 108.725 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -63.06 -33.36 75.27 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.466 -0.771 . . . . 0.0 109.573 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 11.7 mt -58.12 -49.17 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.146 -0.972 . . . . 0.0 110.163 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -64.05 -43.84 94.28 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 119.058 -1.057 . . . . 0.0 108.353 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 35.9 tp -59.57 -39.79 85.23 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.2 m -60.45 -42.82 96.94 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.172 -0.955 . . . . 0.0 109.433 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -62.4 -37.36 85.49 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.113 -0.992 . . . . 0.0 109.208 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 64.9 mt -59.42 -39.07 82.3 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.998 -1.064 . . . . 0.0 108.4 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.48 80.98 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -81.33 -12.81 58.92 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.306 -0.871 . . . . 0.0 109.165 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.7 0.11 69.67 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -94.89 145.96 24.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.156 -1.202 . . . . 0.0 109.797 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 38.0 mm -117.14 136.3 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.409 -0.807 . . . . 0.0 109.441 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 176' ' ' ASN . . . . . 0.471 ' OD1' ' O ' ' B' ' 176' ' ' ASN . 37.1 p-10 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 t -106.2 113.27 63.62 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.292 -0.88 . . . . 0.0 109.273 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -49.82 143.94 21.96 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.962 1.774 . . . . 0.0 112.11 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -109.04 152.1 25.46 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.381 -0.824 . . . . 0.0 109.508 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 83.0 mt -57.92 -37.12 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.23 -0.919 . . . . 0.0 109.375 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 181' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' B' ' 182' ' ' ALA . 25.4 mttm -58.11 -34.41 70.18 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.321 -0.862 . . . . 0.0 109.398 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 182' ' ' ALA . . . . . 0.485 ' O ' ' O ' ' B' ' 181' ' ' LYS . . . 55.61 111.18 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.321 -0.862 . . . . 0.0 109.64 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -58.05 -38.04 75.56 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.241 -0.912 . . . . 0.0 109.43 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -109.83 153.71 24.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.383 -0.823 . . . . 0.0 109.475 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 24.3 t -114.07 136.31 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.382 -0.824 . . . . 0.0 109.436 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -55.73 -35.41 66.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.371 -0.831 . . . . 0.0 109.793 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.15 -41.31 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.147 -0.971 . . . . 0.0 109.593 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.552 ' OD2' ' NE2' ' A' ' 43' ' ' GLN . 55.7 t0 -59.82 -35.19 74.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.855 -1.153 . . . . 0.0 109.613 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -59.82 -47.09 87.11 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.282 -0.886 . . . . 0.0 110.862 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.54 -41.06 84.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.118 -0.989 . . . . 0.0 110.301 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -57.66 -41.17 80.95 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.75 -1.219 . . . . 0.0 109.425 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.38 -38.87 91.3 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.262 -0.899 . . . . 0.0 109.134 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.62 -40.49 95.05 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.286 -0.884 . . . . 0.0 109.136 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -61.24 -42.21 98.22 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.373 -0.829 . . . . 0.0 109.375 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.16 -41.75 89.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.178 -0.951 . . . . 0.0 109.097 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.96 -40.39 94.93 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.28 -0.887 . . . . 0.0 109.484 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.07 -35.78 82.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.196 -0.94 . . . . 0.0 109.431 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -62.11 -44.2 97.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.26 -0.9 . . . . 0.0 109.237 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.92 -42.69 97.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.234 -0.916 . . . . 0.0 109.772 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 200' ' ' ARG . . . . . 0.464 ' O ' ' OXT' ' B' ' 204' ' ' GLY . 57.8 mtp180 -59.03 -36.37 74.88 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.099 -1.001 . . . . 0.0 108.782 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.53 -36.37 83.61 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 15.3 tp -59.24 -39.29 82.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.409 -0.807 . . . . 0.0 108.827 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -92.96 -2.63 55.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.342 -0.849 . . . . 0.0 109.388 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 204' ' ' GLY . . . . . 0.464 ' OXT' ' O ' ' B' ' 200' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.236 0 CA-C-O 118.004 -1.442 . . . . 0.0 109.534 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.425 ' CB ' ' OE2' ' A' ' 38' ' ' GLU . . . -59.93 -39.34 85.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 0.0 109.322 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -63.88 -38.79 92.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.221 -0.925 . . . . 0.0 109.312 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -59.16 -39.89 83.9 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.39 93.05 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.29 -47.22 84.35 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.419 -0.8 . . . . 0.0 109.677 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -60.91 -40.6 93.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.1 -1.0 . . . . 0.0 109.281 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.42 -39.55 84.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.33 -0.856 . . . . 0.0 109.47 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.98 -41.8 90.49 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.216 -0.928 . . . . 0.0 108.653 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -45.54 78.47 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.306 -0.871 . . . . 0.0 109.102 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.07 -33.33 75.26 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.76 97.16 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.24 -0.912 . . . . 0.0 108.946 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -61.51 -40.79 95.88 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.236 -0.915 . . . . 0.0 108.558 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -59.14 -39.17 81.55 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.441 -0.787 . . . . 0.0 109.054 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -62.64 -42.54 99.66 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.523 -0.736 . . . . 0.0 109.539 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -58.78 -39.41 80.95 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.927 . . . . 0.0 109.0 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -61.42 -32.92 72.88 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.404 -0.81 . . . . 0.0 109.357 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.2 t -84.12 -14.41 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -0.883 . . . . 0.0 109.722 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.12 23.61 34.35 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.2 mt -95.29 54.11 1.59 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.282 -1.128 . . . . 0.0 109.02 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.1 -27.55 67.48 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.0 mm -58.2 -55.13 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 120.91 -1.347 . . . . 0.0 109.765 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mp -68.07 -33.81 63.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.007 -1.058 . . . . 0.0 108.565 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.2 -46.18 94.21 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.438 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 66.9 t80 -60.98 -48.25 82.69 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.101 -1.235 . . . . 0.0 109.835 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.521 ' CB ' ' SD ' ' A' ' 93' ' ' MET . 87.5 t80 -67.61 -45.62 74.9 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.226 -0.921 . . . . 0.0 110.943 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -67.39 -36.57 81.59 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.902 -1.124 . . . . 0.0 110.133 -179.019 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.47 ' NE2' ' CG2' ' A' ' 55' ' ' THR . 84.8 mt-30 -62.8 -40.26 96.8 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.823 -1.173 . . . . 0.0 108.931 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.438 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 85.4 mt -61.04 -38.2 85.3 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.665 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 78.7 t80 -65.83 -36.02 82.3 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.158 -0.964 . . . . 0.0 109.166 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.51 -45.93 92.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.305 -0.872 . . . . 0.0 110.234 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.0 p -65.6 -41.95 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.769 -1.207 . . . . 0.0 108.93 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.515 ' OE2' ' NH1' ' B' ' 203' ' ' ARG . 97.5 mt-10 -61.65 -35.61 78.43 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.87 -1.144 . . . . 0.0 108.917 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.7 tp -63.41 -42.06 98.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.377 -0.827 . . . . 0.0 109.607 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.427 HG21 HD12 ' A' ' 35' ' ' ILE . 82.9 mt -63.89 -48.2 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 O-C-N 121.167 -0.958 . . . . 0.0 109.804 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.3 mp -64.17 -35.57 81.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.321 -0.862 . . . . 0.0 109.3 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.0 m -80.79 -0.35 38.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.305 -0.872 . . . . 0.0 108.72 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' OE2' ' CB ' ' A' ' 2' ' ' ALA . 84.5 tt0 -94.48 150.66 20.04 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.627 -0.671 . . . . 0.0 109.378 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.36 150.09 15.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.162 -0.961 . . . . 0.0 109.036 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -58.38 129.04 40.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.25 -0.906 . . . . 0.0 110.018 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -122.93 171.55 9.14 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.3 p -57.15 171.62 0.36 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.32 -0.862 . . . . 0.0 110.378 -178.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -55.5 -24.0 29.24 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.767 -0.583 . . . . 0.0 111.079 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.22 -41.62 37.84 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.684 -1.26 . . . . 0.0 109.509 -178.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -35.62 79.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.88 -1.138 . . . . 0.0 109.262 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.0 m -59.31 -42.84 92.31 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.273 -0.892 . . . . 0.0 109.39 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.71 93.68 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.224 -0.922 . . . . 0.0 109.038 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.28 -39.51 90.69 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.412 -0.805 . . . . 0.0 109.356 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.95 98.11 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.318 -0.864 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 m -60.61 -40.19 90.95 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.236 -0.915 . . . . 0.0 109.134 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.56 -39.22 92.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.335 -0.853 . . . . 0.0 109.649 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.09 -41.91 98.67 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.18 -0.95 . . . . 0.0 109.699 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 41.5 tp -62.45 -41.73 98.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.12 -0.987 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -62.77 -40.68 98.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.458 -0.776 . . . . 0.0 109.419 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.47 ' CG2' ' NE2' ' A' ' 28' ' ' GLN . 25.6 m -60.45 -42.41 96.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.529 -0.732 . . . . 0.0 109.934 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.8 mt -59.34 -47.3 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.113 -0.992 . . . . 0.0 109.04 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.572 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.9 mt-10 -61.89 -36.17 80.5 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -63.92 -36.1 82.84 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -60.58 -54.5 44.61 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.134 -0.979 . . . . 0.0 109.005 179.602 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -60.48 -39.16 86.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.114 -0.991 . . . . 0.0 108.82 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -82.37 -2.22 52.29 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.446 -0.783 . . . . 0.0 109.831 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 58' ' ' ALA . 84.5 tt0 -49.16 -31.62 8.65 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.164 -0.96 . . . . 0.0 110.014 -179.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.432 ' C ' ' H ' ' A' ' 65' ' ' GLY . 29.7 mm -67.13 -40.24 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.015 -1.053 . . . . 0.0 109.165 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.62 -5.81 10.34 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 89.79 -7.99 80.69 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -67.22 -47.2 71.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.047 -1.266 . . . . 0.0 108.856 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.9 t -73.48 -30.84 63.42 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -58.68 -30.84 67.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.566 -0.709 . . . . 0.0 109.98 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.27 -36.8 66.5 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.036 -1.04 . . . . 0.0 109.788 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -106.05 134.35 49.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.26 -0.9 . . . . 0.0 109.208 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 50.08 46.36 24.65 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.06 -1.025 . . . . 0.0 108.362 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.4 t -50.56 -39.52 49.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.532 -0.73 . . . . 0.0 110.226 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.587 ' OD1' ' N ' ' A' ' 74' ' ' LYS . 32.9 p-10 -63.18 -40.9 98.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.111 -0.993 . . . . 0.0 110.128 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.587 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 56.4 tttt -62.75 -39.35 93.87 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.224 -0.922 . . . . 0.0 109.775 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.6 p -64.48 -42.65 95.76 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.281 -0.887 . . . . 0.0 109.891 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.1 mt -68.41 -39.6 81.55 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.322 -0.861 . . . . 0.0 109.825 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 77.5 m-70 -60.91 -45.1 96.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.313 -0.867 . . . . 0.0 110.455 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.62 -49.99 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.053 -1.029 . . . . 0.0 110.133 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.411 ' SD ' ' CG1' ' A' ' 63' ' ' ILE . 70.6 mtm -68.56 -46.55 69.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.186 -0.947 . . . . 0.0 110.819 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.46 ' CA ' ' HD1' ' A' ' 84' ' ' HIS . 80.5 m-20 -69.82 -42.95 72.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.081 -1.012 . . . . 0.0 111.482 -178.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 39.4 m -65.73 -49.63 67.73 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.109 -0.994 . . . . 0.0 111.884 -177.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.2 mt -72.49 -33.93 67.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.844 -1.16 . . . . 0.0 111.084 -178.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 86.1 mt -79.31 -34.49 16.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.065 -1.022 . . . . 0.0 111.456 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.46 ' HD1' ' CA ' ' A' ' 80' ' ' ASN . 73.3 m80 -92.87 -37.97 11.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.872 -1.143 . . . . 0.0 111.757 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -84.25 107.6 16.65 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.721 -1.237 . . . . 0.0 110.372 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.25 -36.93 83.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.455 -0.778 . . . . 0.0 110.223 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.19 -45.2 95.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.056 -1.027 . . . . 0.0 108.843 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -68.57 -34.35 75.67 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.27 -47.68 55.5 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.449 -0.782 . . . . 0.0 110.315 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -61.53 -48.34 81.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.081 -1.012 . . . . 0.0 110.576 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 pp -61.76 -41.21 89.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 120.995 -1.066 . . . . 0.0 108.926 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -63.67 -48.53 76.8 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.521 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 75.8 mtm -65.73 -41.9 91.66 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.359 -0.838 . . . . 0.0 109.307 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.88 -39.75 93.02 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.273 -0.892 . . . . 0.0 109.187 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -59.83 -44.98 93.78 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.388 -0.82 . . . . 0.0 109.546 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -63.69 -44.42 93.73 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.269 -0.895 . . . . 0.0 109.709 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.1 p -61.96 -42.83 99.56 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.262 -0.899 . . . . 0.0 109.964 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 91.1 mtp -64.78 -43.43 93.24 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.076 -1.015 . . . . 0.0 109.273 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.5 m -70.11 -42.12 73.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.421 -0.8 . . . . 0.0 109.436 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.64 -42.92 98.1 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.356 -0.84 . . . . 0.0 109.704 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.612 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 82.8 t80 -61.01 -42.83 99.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.323 -0.861 . . . . 0.0 109.758 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -58.83 -41.39 86.77 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.278 -0.889 . . . . 0.0 109.522 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.31 -39.3 92.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.284 -0.885 . . . . 0.0 109.669 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.585 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 39.6 mmtt -62.6 -40.44 96.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.235 -0.916 . . . . 0.0 109.489 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.17 -44.62 94.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.259 -0.901 . . . . 0.0 109.507 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -60.71 -39.46 88.63 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.197 -0.939 . . . . 0.0 109.845 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 111' ' ' GLY . 94.7 mt-30 -62.89 -40.89 98.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.204 -0.935 . . . . 0.0 110.027 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.84 -37.42 87.56 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.84 -1.163 . . . . 0.0 109.728 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -78.12 -53.31 7.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.252 -0.905 . . . . 0.0 110.742 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -98.5 -22.91 15.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.232 -0.917 . . . . 0.0 110.897 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -88.6 153.32 23.95 Favored Glycine 0 N--CA 1.492 2.432 0 C-N-CA 119.494 -1.336 . . . . 0.0 110.017 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.93 153.39 72.7 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 122.806 2.337 . . . . 0.0 111.902 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.419 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 15.3 m-90 -92.46 115.06 27.76 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.122 -0.986 . . . . 0.0 109.76 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 43.8 t0 -135.57 167.31 21.34 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.341 -0.849 . . . . 0.0 109.211 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.46 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 3.9 m -62.27 -32.56 55.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.367 -0.833 . . . . 0.0 109.623 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.401 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.2 mtm -60.13 -39.9 87.88 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.288 -0.882 . . . . 0.0 109.923 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.6 mm? -65.29 -38.79 91.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.217 -0.927 . . . . 0.0 109.403 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -60.93 -42.79 98.86 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.292 -0.88 . . . . 0.0 109.539 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -62.12 -42.36 99.16 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.331 -0.856 . . . . 0.0 109.879 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.585 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 8.2 t -64.52 -43.4 94.16 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.26 -0.9 . . . . 0.0 109.807 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 41.1 tp -62.3 -43.08 99.66 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.297 -0.877 . . . . 0.0 109.495 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 41.4 m95 -61.93 -39.74 93.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.144 -0.972 . . . . 0.0 108.962 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.6 m -64.38 -41.16 96.84 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.218 -0.926 . . . . 0.0 108.735 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 70.8 m -59.31 -44.26 92.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.346 -0.846 . . . . 0.0 109.269 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.0 -38.53 77.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.19 -0.944 . . . . 0.0 108.926 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.531 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.5 m-20 -60.23 -39.06 85.37 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.347 -0.846 . . . . 0.0 109.041 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.24 -42.98 99.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.398 -0.813 . . . . 0.0 109.259 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.406 ' O ' ' CB ' ' A' ' 132' ' ' LEU . 26.4 m-85 -66.55 -43.4 85.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.36 -0.837 . . . . 0.0 109.81 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.0 m -64.7 -38.01 89.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.335 -0.853 . . . . 0.0 110.246 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.665 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 60.0 m -67.32 -49.54 63.72 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.214 -0.929 . . . . 0.0 110.249 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.431 HG13 ' H ' ' A' ' 132' ' ' LEU . 1.1 pp -77.29 -43.27 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.091 -1.005 . . . . 0.0 110.285 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.431 ' H ' HG13 ' A' ' 131' ' ' ILE . 44.5 tp -62.22 -40.99 97.97 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.901 -1.124 . . . . 0.0 109.808 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -68.48 -49.49 59.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -0.891 . . . . 0.0 111.048 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.91 -47.1 86.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.909 -1.119 . . . . 0.0 110.652 -178.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 11.9 m-90 -88.01 4.66 44.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.042 -1.036 . . . . 0.0 110.462 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -49.18 -37.41 22.47 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.221 -0.924 . . . . 0.0 109.514 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -62.78 -26.24 68.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.222 -0.924 . . . . 0.0 109.243 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -89.3 -0.74 57.7 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.273 -0.892 . . . . 0.0 109.853 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.1 mm -102.67 143.17 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.016 -1.053 . . . . 0.0 109.229 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.596 ' H ' ' HG ' ' A' ' 143' ' ' SER . 28.9 t -77.97 154.03 31.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.874 . . . . 0.0 109.186 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.16 -41.99 72.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.198 -0.939 . . . . 0.0 109.762 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 39.5 m -72.87 -44.18 61.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.879 -1.138 . . . . 0.0 109.454 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.596 ' HG ' ' H ' ' A' ' 140' ' ' SER . 87.8 p -63.46 -41.53 98.62 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.24 -0.913 . . . . 0.0 109.373 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.527 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.5 OUTLIER -62.03 -39.05 90.99 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.07 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . 0.677 ' ND2' ' NZ ' ' A' ' 149' ' ' LYS . 0.1 OUTLIER -58.1 -42.61 86.04 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.549 -0.719 . . . . 0.0 109.366 179.658 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.4 m -60.96 -47.4 86.6 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.251 -0.906 . . . . 0.0 110.129 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.69 -38.8 92.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.083 -1.011 . . . . 0.0 108.941 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.618 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -62.19 -36.95 83.49 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.332 -0.855 . . . . 0.0 109.282 179.641 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.677 ' NZ ' ' ND2' ' A' ' 145' ' ' ASN . 29.3 mttp -62.74 -42.55 99.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.125 -0.984 . . . . 0.0 109.464 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -63.23 -42.05 99.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.182 -0.949 . . . . 0.0 109.381 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.14 -41.51 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.333 -0.854 . . . . 0.0 109.357 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -59.31 -40.68 86.99 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.331 -0.856 . . . . 0.0 108.799 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -58.51 -43.68 89.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.406 -0.809 . . . . 0.0 109.146 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . 0.612 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 4.2 m -65.4 -50.33 65.89 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.293 -0.879 . . . . 0.0 108.857 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -60.23 -35.97 76.65 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 13.8 mt -58.49 -41.9 82.99 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 O-C-N 121.435 -0.791 . . . . 0.0 109.535 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.419 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 74.1 t80 -62.6 -40.18 96.11 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.288 -0.883 . . . . 0.0 108.677 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 88.1 mt -58.83 -40.96 85.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.204 -0.935 . . . . 0.0 109.188 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.7 m -62.11 -40.64 96.55 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.2 -0.938 . . . . 0.0 109.205 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.434 ' HZ2' ' CA ' ' A' ' 167' ' ' GLY . 52.4 mtmt -61.82 -38.61 88.8 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.192 -0.942 . . . . 0.0 109.257 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 73.3 mt -62.64 -37.47 86.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.166 -0.959 . . . . 0.0 108.801 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.74 84.65 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.346 -0.846 . . . . 0.0 109.169 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -81.84 -9.78 59.51 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.325 -0.859 . . . . 0.0 109.398 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 89.53 3.3 74.97 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -94.73 141.33 28.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.227 -1.16 . . . . 0.0 109.673 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.442 ' O ' ' O ' ' A' ' 167' ' ' GLY . 36.1 mm -115.81 134.45 59.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.413 -0.805 . . . . 0.0 109.372 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 166' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.272 0 CA-C-O 118.047 -1.418 . . . . 0.0 109.564 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 176' ' ' ASN . . . . . 0.431 ' H2 ' ' H ' ' B' ' 177' ' ' VAL . 47.2 t30 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.255 0.55 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 177' ' ' VAL . . . . . 0.431 ' H ' ' H2 ' ' B' ' 176' ' ' ASN . 45.4 t -67.9 135.43 92.04 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.233 -0.917 . . . . 0.0 109.098 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -64.32 146.78 90.53 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 C-N-CA 121.877 1.718 . . . . 0.0 112.187 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . 0.496 ' O ' ' O ' ' B' ' 182' ' ' ALA . 21.9 pt-20 -66.97 -18.33 65.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 0.0 109.79 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 84.9 mt -54.88 -40.17 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.103 -0.998 . . . . 0.0 109.708 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -59.85 -38.5 82.27 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.257 -0.902 . . . . 0.0 109.85 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 182' ' ' ALA . . . . . 0.496 ' O ' ' O ' ' B' ' 179' ' ' GLU . . . -154.24 155.22 34.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.051 -1.031 . . . . 0.0 109.811 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -86.22 150.14 24.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.315 -0.866 . . . . 0.0 109.429 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.46 142.08 40.09 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.135 -0.978 . . . . 0.0 109.459 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 41.0 t -121.59 138.38 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.481 -0.762 . . . . 0.0 109.554 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -83.41 158.27 22.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.252 -0.905 . . . . 0.0 109.59 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.95 -40.1 87.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.373 -0.83 . . . . 0.0 109.656 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.78 -34.65 73.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.992 -1.067 . . . . 0.0 109.742 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -57.12 -47.72 80.41 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.25 -0.906 . . . . 0.0 110.666 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -69.07 -41.47 77.5 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.119 -0.988 . . . . 0.0 110.173 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -58.75 -41.29 86.18 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.844 -1.16 . . . . 0.0 109.57 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.12 -38.51 90.89 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.126 -0.984 . . . . 0.0 109.215 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -59.22 -41.44 88.65 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.204 -0.935 . . . . 0.0 108.857 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -62.07 -40.55 96.18 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.278 -0.889 . . . . 0.0 109.166 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 43.7 tp -57.96 -39.64 78.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.337 -0.852 . . . . 0.0 109.435 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.74 98.66 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.926 . . . . 0.0 109.268 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -65.14 -35.62 81.69 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.248 -0.908 . . . . 0.0 109.232 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . 0.572 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 63.9 ttt-85 -62.4 -42.26 99.29 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.246 -0.909 . . . . 0.0 109.363 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.51 -44.19 96.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.276 -0.89 . . . . 0.0 109.478 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 33.5 mtm105 -60.12 -36.94 78.58 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.167 -0.958 . . . . 0.0 108.966 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.02 82.41 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 17.5 tp -59.97 -38.49 82.67 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.393 -0.817 . . . . 0.0 108.855 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . 0.515 ' NH1' ' OE2' ' A' ' 33' ' ' GLU . 56.9 mtm180 -87.52 -9.95 53.06 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.341 -0.849 . . . . 0.0 109.356 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 CA-C-O 118.004 -1.442 . . . . 0.0 109.499 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.508 ' N ' ' NH2' ' A' ' 41' ' ' ARG . 87.8 mtp . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.539 ' N ' ' OE2' ' A' ' 38' ' ' GLU . . . -59.18 -40.79 86.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.23 -0.919 . . . . 0.0 109.08 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -63.43 -38.3 90.62 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.163 -0.96 . . . . 0.0 108.973 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -57.08 -39.84 75.74 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.01 95.36 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.22 96.65 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.437 -0.789 . . . . 0.0 109.26 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.424 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.12 -41.64 93.05 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.248 -0.908 . . . . 0.0 108.641 179.621 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.3 t -60.84 -37.44 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.373 -0.83 . . . . 0.0 109.12 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.63 -37.99 77.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.2 98.07 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.3 p -69.98 -34.85 73.89 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.308 -0.87 . . . . 0.0 108.869 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.31 -45.8 80.13 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -64.61 -41.99 95.84 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.317 -0.864 . . . . 0.0 109.14 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -60.55 -42.61 96.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.317 -0.864 . . . . 0.0 109.907 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -61.66 -41.23 97.25 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.153 -0.967 . . . . 0.0 109.383 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.485 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 20.2 t70 -59.02 -38.11 78.5 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.15 -0.969 . . . . 0.0 108.908 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.9 -32.28 71.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.522 -0.736 . . . . 0.0 109.394 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -84.12 -9.06 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.383 -0.823 . . . . 0.0 109.492 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.31 13.59 61.5 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.8 mt -95.88 47.93 1.11 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.421 -1.047 . . . . 0.0 109.114 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.68 -30.46 51.59 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.3 mm -58.6 -51.06 76.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 O-C-N 121.185 -1.185 . . . . 0.0 109.593 -179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.448 HG23 HD12 ' A' ' 23' ' ' ILE . 19.1 mm -65.32 -42.27 93.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 121.128 -0.983 . . . . 0.0 108.875 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.91 -39.21 95.23 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.413 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 72.9 t80 -63.76 -47.41 81.1 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.961 -1.317 . . . . 0.0 110.573 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.67 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 72.1 t80 -60.34 -45.8 92.18 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.23 -0.919 . . . . 0.0 111.454 -178.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.54 -33.93 76.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.608 -1.308 . . . . 0.0 110.044 -179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -60.18 -40.31 89.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.65 -1.281 . . . . 0.0 108.208 178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.413 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 87.5 mt -61.46 -38.81 88.57 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.663 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 86.4 t80 -66.23 -36.09 82.12 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.456 -0.778 . . . . 0.0 109.238 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.54 94.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.297 -0.877 . . . . 0.0 110.274 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.2 p -66.12 -42.8 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.812 -1.18 . . . . 0.0 109.168 179.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.67 -35.08 76.96 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.945 -1.097 . . . . 0.0 108.882 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.5 tp -64.03 -43.46 95.49 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.342 -0.848 . . . . 0.0 109.819 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.54 -48.2 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 O-C-N 121.153 -0.967 . . . . 0.0 110.05 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.2 mp -65.1 -36.5 84.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.32 -0.863 . . . . 0.0 109.266 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.6 p -77.33 -19.53 56.21 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.314 -0.866 . . . . 0.0 108.873 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.59 ' OE2' ' NE ' ' A' ' 41' ' ' ARG . 84.5 tt0 -67.7 149.39 50.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.702 -0.624 . . . . 0.0 109.934 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.61 150.02 20.21 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.398 -0.814 . . . . 0.0 109.373 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -58.78 131.16 50.11 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.283 -0.886 . . . . 0.0 110.007 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.59 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 75.1 mtt180 -123.05 170.42 10.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.68 -0.638 . . . . 0.0 109.484 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.0 p -57.77 171.3 0.5 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.231 -0.918 . . . . 0.0 109.678 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.12 -26.13 48.77 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.58 -0.7 . . . . 0.0 110.715 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -52.71 -40.88 63.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.775 -1.203 . . . . 0.0 109.402 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.0 ttp -64.31 -36.4 83.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.124 -0.985 . . . . 0.0 108.641 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.1 m -59.64 -40.43 87.62 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.462 -0.774 . . . . 0.0 108.961 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.55 98.84 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.171 -0.956 . . . . 0.0 108.727 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.0 -36.3 83.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.285 -0.884 . . . . 0.0 109.093 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.92 98.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.226 -0.921 . . . . 0.0 108.941 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.7 m -61.71 -41.89 98.21 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.364 -0.835 . . . . 0.0 109.148 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -61.41 -40.77 95.6 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.301 -0.874 . . . . 0.0 109.052 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.2 tp -59.64 -40.72 88.61 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.335 -0.853 . . . . 0.0 109.109 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.02 -40.32 88.89 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.335 -0.853 . . . . 0.0 108.705 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -59.89 -39.49 85.53 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.7 m -60.38 -41.58 94.05 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.633 -0.667 . . . . 0.0 109.62 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.1 mt -59.62 -55.09 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.187 -0.946 . . . . 0.0 109.247 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.575 ' OE2' ' NZ ' ' A' ' 61' ' ' LYS . 85.6 tt0 -62.61 -38.0 88.49 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.23 -31.4 69.95 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.428 -0.795 . . . . 0.0 108.91 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 55' ' ' THR . 84.8 t80 -59.23 -54.17 49.97 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.244 -0.91 . . . . 0.0 109.481 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -62.46 -43.27 99.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.126 -0.984 . . . . 0.0 109.654 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.575 ' NZ ' ' OE2' ' A' ' 57' ' ' GLU . 19.5 mttp -82.77 -2.98 55.94 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.259 -0.901 . . . . 0.0 110.103 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.5 tt0 -50.01 -33.94 19.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.195 -0.941 . . . . 0.0 109.997 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.2 mt -68.06 -41.09 84.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.131 -0.981 . . . . 0.0 109.744 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.86 -5.37 84.05 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.92 0.1 81.59 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -68.26 -46.9 69.15 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.115 -1.226 . . . . 0.0 109.41 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.8 t -64.6 -39.17 93.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.68 -0.638 . . . . 0.0 109.491 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 68' ' ' GLU . 47.0 mp0 -65.23 -28.55 69.44 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.452 -0.78 . . . . 0.0 109.934 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -39.22 -37.4 0.41 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.341 -0.849 . . . . 0.0 109.854 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -112.5 132.84 54.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.402 -0.811 . . . . 0.0 109.073 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 51.02 48.34 23.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.097 -1.002 . . . . 0.0 109.092 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.412 ' HG ' ' N ' ' A' ' 73' ' ' ASP . 58.2 p -57.59 -36.48 71.79 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.213 -0.929 . . . . 0.0 110.023 -179.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.412 ' N ' ' HG ' ' A' ' 72' ' ' SER . 91.0 m-20 -60.47 -42.38 96.09 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.958 -1.089 . . . . 0.0 109.65 -179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -70.77 -48.34 54.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.283 -0.886 . . . . 0.0 110.536 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.9 m -61.61 -44.13 97.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.053 -1.029 . . . . 0.0 110.114 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.4 mt -66.71 -36.38 82.36 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.32 -0.862 . . . . 0.0 109.807 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.486 ' O ' ' OG1' ' A' ' 81' ' ' THR . 73.9 t60 -60.52 -45.49 93.65 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.342 -0.849 . . . . 0.0 110.007 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.55 -49.78 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.042 -1.036 . . . . 0.0 109.981 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 96.7 mmm -67.98 -46.32 71.68 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.283 -0.885 . . . . 0.0 110.212 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.597 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 55.1 t-20 -68.02 -43.87 77.8 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.141 -0.974 . . . . 0.0 111.097 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 37.5 m -68.13 -47.66 67.5 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.165 -0.96 . . . . 0.0 111.83 -178.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.7 mt -70.27 -34.09 72.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.804 -1.185 . . . . 0.0 111.047 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.9 mt -78.58 -34.25 17.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.051 -1.031 . . . . 0.0 110.951 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.597 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 78.8 m80 -91.72 -27.7 17.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.024 -1.048 . . . . 0.0 111.231 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -87.76 108.0 18.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.728 -1.233 . . . . 0.0 109.724 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.436 ' NE2' ' CD2' ' A' ' 134' ' ' LEU . 63.3 tt0 -62.19 -39.62 93.31 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.505 -0.747 . . . . 0.0 111.173 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.77 -44.43 96.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.962 -1.087 . . . . 0.0 110.181 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -63.88 -30.99 72.02 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.158 -0.964 . . . . 0.0 108.991 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.58 67.66 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.249 -0.907 . . . . 0.0 110.134 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -63.51 -48.51 77.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.909 -1.119 . . . . 0.0 110.495 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.432 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -63.96 -40.15 88.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.987 -1.071 . . . . 0.0 108.502 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.432 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 47.2 t80 -65.66 -48.36 72.38 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.67 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 71.1 mtm -68.74 -39.18 80.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.434 -0.791 . . . . 0.0 110.044 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.4 tp -60.43 -40.88 92.69 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.036 -1.04 . . . . 0.0 108.99 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -63.54 -44.17 95.0 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.32 -0.863 . . . . 0.0 109.171 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -64.09 -42.19 97.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.412 -0.805 . . . . 0.0 109.611 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.5 p -59.68 -43.89 93.84 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.165 -0.959 . . . . 0.0 109.801 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 96.2 mmm -63.76 -43.16 97.23 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.199 -0.938 . . . . 0.0 109.148 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.8 m -70.91 -38.21 72.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.533 -0.729 . . . . 0.0 109.795 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.434 ' CD2' ' SG ' ' A' ' 124' ' ' CYS . 28.7 tp -62.41 -42.6 99.56 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.257 -0.902 . . . . 0.0 110.152 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.667 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 88.3 t80 -67.9 -48.03 67.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.158 -0.964 . . . . 0.0 110.332 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -59.11 -45.08 91.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.105 -0.997 . . . . 0.0 109.478 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.18 -37.93 89.18 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.319 -0.863 . . . . 0.0 109.388 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -60.73 -45.02 95.85 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.272 -0.892 . . . . 0.0 109.66 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 77.3 mt -59.73 -41.8 91.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.197 -0.939 . . . . 0.0 109.271 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -61.58 -38.62 88.21 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.175 -0.953 . . . . 0.0 109.598 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.581 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.5 mm-40 -62.03 -39.77 93.45 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.163 -0.96 . . . . 0.0 109.904 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.7 mt -65.28 -39.07 92.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.029 -1.045 . . . . 0.0 109.207 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -78.37 -53.24 7.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.407 -0.808 . . . . 0.0 110.367 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -85.33 -23.01 28.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.373 -0.829 . . . . 0.0 110.457 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -110.52 155.69 15.97 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.099 -1.201 . . . . 0.0 110.099 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.61 150.58 83.78 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.803 2.335 . . . . 0.0 111.844 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -91.52 123.84 35.24 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.268 -0.895 . . . . 0.0 109.644 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -134.35 166.11 23.59 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.259 -0.901 . . . . 0.0 109.334 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.93 -32.02 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 121.194 -0.941 . . . . 0.0 109.417 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.7 mtm -59.62 -40.31 87.14 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.457 -0.777 . . . . 0.0 109.633 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.87 -38.18 90.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.281 -0.887 . . . . 0.0 109.33 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -60.95 -41.27 95.97 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.193 -0.942 . . . . 0.0 109.117 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -62.27 -40.41 96.13 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.345 -0.847 . . . . 0.0 109.462 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.407 ' O ' ' SG ' ' A' ' 124' ' ' CYS . 11.8 t -61.99 -41.43 98.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.255 -0.903 . . . . 0.0 109.691 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 17.2 tp -62.25 -43.16 99.46 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.238 -0.913 . . . . 0.0 109.293 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -57.09 -40.05 76.21 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.992 -1.068 . . . . 0.0 108.625 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.0 m -68.16 -42.39 80.14 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.324 -0.86 . . . . 0.0 108.887 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.434 ' SG ' ' CD2' ' A' ' 100' ' ' LEU . 53.5 m -60.11 -46.53 89.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.242 -0.911 . . . . 0.0 109.67 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.23 -37.51 73.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.121 -0.987 . . . . 0.0 108.56 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.77 -39.25 91.0 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.36 -0.837 . . . . 0.0 109.256 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.56 -44.82 93.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.211 -0.931 . . . . 0.0 109.288 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -68.66 -43.32 76.44 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.33 -0.856 . . . . 0.0 109.694 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.6 m -64.22 -39.58 94.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.32 -0.862 . . . . 0.0 110.477 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.663 ' SG ' ' CD1' ' A' ' 30' ' ' TYR . 71.6 m -67.46 -49.96 61.27 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.015 -1.053 . . . . 0.0 110.018 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 79.1 mt -65.05 -46.15 92.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.153 -0.967 . . . . 0.0 109.366 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.587 ' O ' ' N ' ' A' ' 136' ' ' LYS . 40.7 tp -63.1 -39.16 93.88 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.46 -0.775 . . . . 0.0 109.693 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -58.41 -49.42 77.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.238 -0.914 . . . . 0.0 110.055 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.436 ' CD2' ' NE2' ' A' ' 86' ' ' GLN . 38.4 tp -64.59 -43.16 94.71 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.09 -1.007 . . . . 0.0 109.693 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -87.12 -1.2 57.71 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.374 -0.829 . . . . 0.0 110.297 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.3 OUTLIER -52.96 -35.52 58.99 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.151 -0.968 . . . . 0.0 109.861 -179.418 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -62.28 -26.25 68.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.245 -0.91 . . . . 0.0 109.185 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -89.55 -2.26 58.28 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.359 -0.838 . . . . 0.0 109.873 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.4 mm -104.61 141.55 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.166 -0.959 . . . . 0.0 109.532 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.0 m -77.51 155.19 31.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.0 108.822 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -55.61 -43.5 76.13 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.068 -1.02 . . . . 0.0 109.538 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 31.2 m -70.65 -42.79 70.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.923 -1.111 . . . . 0.0 108.88 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.442 ' O ' ' OG ' ' A' ' 146' ' ' SER . 25.7 t -58.97 -40.24 84.18 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 145' ' ' ASN . 0.4 OUTLIER -60.99 -38.93 87.76 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.86 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . 0.403 ' N ' HG22 ' A' ' 144' ' ' THR . 18.8 t-20 -57.6 -41.1 80.53 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.48 -0.763 . . . . 0.0 109.386 179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.516 ' HG ' ' H ' ' A' ' 147' ' ' LEU . 93.5 p -64.18 -46.09 85.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.254 -0.904 . . . . 0.0 109.765 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.516 ' H ' ' HG ' ' A' ' 146' ' ' SER . 10.3 mp -69.05 -43.35 74.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.088 -1.007 . . . . 0.0 108.977 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.603 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -63.4 -35.58 80.88 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.196 -0.94 . . . . 0.0 108.564 179.173 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.58 -42.33 96.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.411 -0.806 . . . . 0.0 109.02 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -60.36 -42.21 95.31 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.88 -38.55 80.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.02 -42.18 79.92 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -59.14 -40.44 85.52 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . 0.667 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 64.3 m -60.33 -50.55 73.18 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 119.659 -0.816 . . . . 0.0 108.819 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -61.8 -36.86 82.33 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.26 -0.9 . . . . 0.0 109.198 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 46.4 mt -58.34 -47.91 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 O-C-N 121.263 -0.898 . . . . 0.0 109.814 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.65 -38.15 90.02 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 46.8 tp -59.45 -46.55 88.43 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.632 -0.667 . . . . 0.0 109.38 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.1 m -64.16 -35.67 81.55 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.255 -0.903 . . . . 0.0 108.576 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.583 ' NZ ' ' OXT' ' A' ' 167' ' ' GLY . 16.6 tttm -60.61 -41.74 95.41 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 88.8 mt -64.6 -35.54 81.33 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.86 71.61 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.464 -0.772 . . . . 0.0 109.036 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -80.99 -10.65 59.68 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.307 -0.87 . . . . 0.0 109.331 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 90.73 1.54 73.67 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -94.8 139.81 30.77 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.142 -1.211 . . . . 0.0 109.73 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.489 ' O ' ' O ' ' A' ' 167' ' ' GLY . 4.4 tp -126.54 135.59 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.823 . . . . 0.0 109.523 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.583 ' OXT' ' NZ ' ' A' ' 160' ' ' LYS . . . . . . . . 0 N--CA 1.491 2.34 0 CA-C-O 117.965 -1.464 . . . . 0.0 109.586 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -67.88 154.15 94.08 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.322 -0.861 . . . . 0.0 109.361 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -57.16 -21.47 43.1 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.684 2.256 . . . . 0.0 112.051 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.25 144.35 35.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.165 -0.96 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 70.2 mt -113.48 135.68 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.482 -0.761 . . . . 0.0 109.552 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -85.51 152.86 22.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.245 -0.91 . . . . 0.0 109.447 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -137.09 156.47 48.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.321 -0.862 . . . . 0.0 109.418 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . 0.578 ' NZ ' ' OE1' ' B' ' 192' ' ' GLU . 20.2 mttt -87.14 149.62 24.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.259 -0.901 . . . . 0.0 109.546 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.21 -36.38 70.8 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.297 -0.877 . . . . 0.0 109.95 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 185' ' ' VAL . . . . . 0.415 HG12 ' H ' ' B' ' 187' ' ' VAL . 21.2 t -124.06 132.45 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.38 -0.825 . . . . 0.0 109.805 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -62.55 -31.08 71.81 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.49 -0.757 . . . . 0.0 110.18 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 187' ' ' VAL . . . . . 0.415 ' H ' HG12 ' B' ' 185' ' ' VAL . 55.9 t -50.99 -43.0 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.273 -0.892 . . . . 0.0 110.222 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.15 -35.94 76.42 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.818 -1.176 . . . . 0.0 109.59 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -59.96 -46.72 88.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.326 -0.858 . . . . 0.0 110.846 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -67.28 -39.57 86.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.127 -0.983 . . . . 0.0 110.396 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -56.99 -42.98 81.23 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.658 -1.276 . . . . 0.0 109.364 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 192' ' ' GLU . . . . . 0.578 ' OE1' ' NZ ' ' B' ' 183' ' ' LYS . 96.6 mt-10 -65.51 -38.62 90.21 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.149 -0.969 . . . . 0.0 109.08 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.63 -40.34 94.51 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.311 -0.868 . . . . 0.0 109.017 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -60.9 -41.78 96.77 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.36 -0.838 . . . . 0.0 109.363 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.38 -41.76 90.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.263 -0.898 . . . . 0.0 109.171 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.56 95.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.329 -0.857 . . . . 0.0 109.216 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.29 -35.53 81.29 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.276 -0.89 . . . . 0.0 109.248 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -60.75 -43.38 98.02 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.189 -0.945 . . . . 0.0 109.194 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 1.4 tp -63.26 -41.97 99.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.255 -0.903 . . . . 0.0 109.385 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -59.15 -39.01 81.08 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.256 -0.902 . . . . 0.0 109.188 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.8 -35.52 80.25 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.256 -0.903 . . . . 0.0 108.848 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 15.7 tp -60.13 -39.88 87.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.465 -0.772 . . . . 0.0 109.192 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -102.12 4.67 39.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.342 -0.849 . . . . 0.0 109.566 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 CA-C-O 117.955 -1.469 . . . . 0.0 109.543 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tpp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.576 ' N ' ' OE2' ' A' ' 38' ' ' GLU . . . -58.95 -40.08 83.61 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.165 -0.959 . . . . 0.0 109.142 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -63.67 -38.72 92.16 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.245 -0.91 . . . . 0.0 109.191 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -57.46 -41.59 80.86 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.128 -0.983 . . . . 0.0 108.596 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.86 93.13 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.42 97.1 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.393 -0.817 . . . . 0.0 109.681 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.446 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.52 -42.3 96.16 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.181 -0.95 . . . . 0.0 109.14 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.11 -37.99 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.257 -0.902 . . . . 0.0 109.797 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.64 -39.25 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.138 -0.976 . . . . 0.0 108.789 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.91 91.85 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.36 -0.838 . . . . 0.0 108.943 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.28 -32.93 70.95 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -44.95 92.37 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.191 -0.943 . . . . 0.0 108.698 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.05 -41.81 99.58 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.262 -0.899 . . . . 0.0 108.631 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -60.68 -40.25 91.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.411 -0.806 . . . . 0.0 109.215 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -61.55 -42.51 98.94 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.413 -0.805 . . . . 0.0 109.251 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.403 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 21.8 t70 -58.9 -38.8 79.71 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 0.0 108.823 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -60.0 -30.05 68.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.379 -0.825 . . . . 0.0 109.232 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.1 t -84.06 -3.51 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.426 -0.796 . . . . 0.0 109.797 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.43 11.82 63.8 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.1 mt -95.57 36.63 1.25 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.412 -1.052 . . . . 0.0 108.947 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.65 -32.78 25.29 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.2 mm -58.69 -48.01 87.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.069 -1.254 . . . . 0.0 109.335 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.47 HD12 HG21 ' A' ' 23' ' ' ILE . 23.5 mm -64.87 -44.19 96.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.211 -0.93 . . . . 0.0 109.105 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.9 -40.55 95.42 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.432 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 66.0 t80 -62.59 -48.36 79.79 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.23 -1.159 . . . . 0.0 110.943 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 71.2 t80 -66.32 -47.12 74.56 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.017 -1.052 . . . . 0.0 110.818 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.463 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 1.7 pp -68.83 -35.65 77.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.021 -1.049 . . . . 0.0 110.095 -179.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -60.46 -42.37 96.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.81 -1.181 . . . . 0.0 108.467 179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.432 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 76.7 mt -59.76 -42.21 92.73 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.665 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 73.3 t80 -63.59 -36.17 82.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.325 -0.86 . . . . 0.0 108.998 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.07 83.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.347 -0.845 . . . . 0.0 109.504 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.51 -39.05 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.94 -1.1 . . . . 0.0 108.657 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.68 -35.5 78.18 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.797 -1.189 . . . . 0.0 108.302 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.4 tp -63.43 -41.47 98.68 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.567 -0.708 . . . . 0.0 109.318 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.19 -48.15 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 O-C-N 121.205 -0.934 . . . . 0.0 110.074 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.5 mp -64.35 -36.69 84.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 109.409 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.7 p -74.79 -21.74 59.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.24 -0.913 . . . . 0.0 108.574 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.576 ' OE2' ' N ' ' A' ' 2' ' ' ALA . 82.3 tt0 -73.02 150.81 42.09 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.335 0.588 . . . . 0.0 109.679 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.35 150.22 15.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.252 -0.905 . . . . 0.0 109.69 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -58.49 137.08 57.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.459 -0.776 . . . . 0.0 110.305 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.555 ' HE ' ' CD ' ' A' ' 38' ' ' GLU . 95.2 mtt-85 -121.93 170.37 9.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.701 -0.624 . . . . 0.0 109.48 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.7 t -57.35 170.99 0.45 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.245 -0.909 . . . . 0.0 110.319 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.61 -28.77 61.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.571 -0.706 . . . . 0.0 110.85 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -51.3 -38.9 55.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.83 -1.169 . . . . 0.0 109.149 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.577 ' O ' ' SD ' ' A' ' 45' ' ' MET . 5.3 tmm? -64.44 -37.69 88.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.233 -0.917 . . . . 0.0 108.839 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.1 m -59.39 -40.81 87.74 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.36 -0.838 . . . . 0.0 109.435 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.44 96.46 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.246 -0.909 . . . . 0.0 108.973 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.28 -37.32 86.77 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.312 -0.867 . . . . 0.0 109.32 179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.02 93.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.274 -0.891 . . . . 0.0 108.864 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.2 m -62.01 -41.06 97.67 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.333 -0.854 . . . . 0.0 109.264 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.59 -42.48 98.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.227 -0.921 . . . . 0.0 109.529 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.4 mt -61.52 -39.34 90.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.948 . . . . 0.0 109.149 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 37.6 tp -60.11 -40.15 88.69 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.258 -0.901 . . . . 0.0 108.809 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -60.22 -39.9 88.26 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.1 m -60.28 -41.49 93.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.62 -0.675 . . . . 0.0 109.536 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.9 mt -58.24 -51.16 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.164 -0.96 . . . . 0.0 108.848 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.45 -36.14 79.56 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.576 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -63.97 -33.89 76.75 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -59.4 -54.38 47.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.384 -0.822 . . . . 0.0 108.806 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -62.67 -40.17 96.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.252 -0.905 . . . . 0.0 108.939 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -82.15 -0.94 47.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.447 -0.783 . . . . 0.0 109.602 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.9 tt0 -47.65 -33.07 6.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.336 -0.853 . . . . 0.0 110.31 -179.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.589 ' CD1' ' SD ' ' A' ' 79' ' ' MET . 82.5 mt -67.49 -37.94 79.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.013 -1.054 . . . . 0.0 109.556 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.74 -5.25 12.39 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 93.67 -6.59 74.1 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.52 -46.5 82.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.138 -1.213 . . . . 0.0 109.596 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.448 ' O ' ' O ' ' A' ' 70' ' ' GLU . 8.3 t -65.43 -31.39 72.46 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.911 . . . . 0.0 108.982 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.16 -28.27 67.78 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.473 -0.767 . . . . 0.0 109.551 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.36 92.68 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.997 -1.064 . . . . 0.0 109.931 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.5 mt-10 -135.83 146.26 47.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.23 -0.919 . . . . 0.0 110.018 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 49.16 40.91 18.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.403 -0.811 . . . . 0.0 109.348 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.7 p -65.01 -36.61 84.97 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.25 -0.906 . . . . 0.0 110.036 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.51 -42.09 95.67 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.147 -0.971 . . . . 0.0 109.816 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -66.85 -47.61 71.43 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.23 -0.919 . . . . 0.0 110.615 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.6 p -66.35 -40.89 90.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.034 -1.041 . . . . 0.0 109.973 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.0 mt -68.35 -39.88 81.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.37 -0.831 . . . . 0.0 110.206 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.489 ' O ' ' OG1' ' A' ' 81' ' ' THR . 32.6 t-80 -61.87 -45.52 93.41 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.188 -0.945 . . . . 0.0 110.504 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.47 -49.57 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.937 -1.102 . . . . 0.0 110.494 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.589 ' SD ' ' CD1' ' A' ' 63' ' ' ILE . 88.9 mtp -67.92 -46.74 70.69 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.209 -0.932 . . . . 0.0 110.876 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.433 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 20.2 m120 -69.04 -40.44 78.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.865 -1.147 . . . . 0.0 110.971 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.489 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 89.5 m -67.17 -49.64 63.98 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.947 -1.095 . . . . 0.0 111.768 -178.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.1 mt -74.56 -33.96 62.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.786 -1.197 . . . . 0.0 111.48 -178.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 91.4 mt -76.38 -38.03 32.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 120.882 -1.136 . . . . 0.0 111.106 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 79.5 m80 -82.28 -37.48 25.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.017 -1.052 . . . . 0.0 111.184 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.538 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 88.1 m-20 -84.96 108.05 17.39 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.845 -1.159 . . . . 0.0 110.077 -179.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -62.53 -38.77 91.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.468 -0.77 . . . . 0.0 110.348 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.98 -44.48 95.93 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.066 -1.021 . . . . 0.0 110.183 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.538 ' NZ ' ' OD2' ' A' ' 85' ' ' ASP . 49.5 mttp -62.22 -30.97 71.46 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.145 -0.972 . . . . 0.0 108.651 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.29 -43.83 80.75 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.277 -0.89 . . . . 0.0 110.05 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.8 tttt -64.35 -48.45 75.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.048 -1.033 . . . . 0.0 111.36 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.614 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -64.06 -38.66 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 120.676 -1.265 . . . . 0.0 109.14 -178.596 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.614 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 56.8 t80 -63.27 -44.03 96.26 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.955 -1.09 . . . . 0.0 108.114 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 72.5 mtm -70.45 -40.95 73.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.564 -0.71 . . . . 0.0 109.698 179.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.09 -40.89 95.42 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.046 -1.034 . . . . 0.0 108.862 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -62.26 -41.57 98.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.419 -0.801 . . . . 0.0 109.043 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -62.67 -46.95 85.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.462 -0.774 . . . . 0.0 109.57 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 34.5 p -62.35 -42.57 99.5 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.154 -0.966 . . . . 0.0 109.598 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.4 ' HE2' HH22 ' A' ' 150' ' ' ARG . 51.6 ttm -63.23 -43.77 97.11 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.283 -0.886 . . . . 0.0 109.437 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.421 ' HG ' ' N ' ' A' ' 100' ' ' LEU . 84.6 p -75.07 -35.87 61.82 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.245 -0.91 . . . . 0.0 109.742 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.421 ' N ' ' HG ' ' A' ' 99' ' ' SER . 33.7 tp -67.84 -44.99 75.91 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.227 -0.921 . . . . 0.0 109.881 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.664 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 71.2 t80 -68.42 -46.17 70.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.345 -0.847 . . . . 0.0 109.979 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -60.66 -46.29 90.89 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.261 -0.9 . . . . 0.0 109.807 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.26 -45.43 84.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.182 -0.949 . . . . 0.0 108.959 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.456 ' NZ ' ' SG ' ' A' ' 124' ' ' CYS . 6.8 ttpm? -62.61 -37.76 87.54 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.395 -0.815 . . . . 0.0 108.838 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.0 tp -56.27 -47.29 78.88 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.506 -0.747 . . . . 0.0 109.029 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -60.7 -38.15 84.04 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 121.189 -0.944 . . . . 0.0 109.164 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.592 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.7 mm-40 -59.65 -38.9 82.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.379 -0.825 . . . . 0.0 109.273 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 63.2 mt -65.14 -37.67 88.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.93 -1.106 . . . . 0.0 109.062 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -77.25 -53.01 8.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.436 -0.79 . . . . 0.0 110.932 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -95.38 -22.66 17.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.193 -0.942 . . . . 0.0 110.71 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.592 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -93.4 155.65 22.32 Favored Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.651 -1.261 . . . . 0.0 109.964 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -66.1 153.68 77.12 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.715 2.276 . . . . 0.0 111.749 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.407 ' O ' ' OD1' ' A' ' 114' ' ' ASP . 13.6 m-90 -94.26 124.58 38.36 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.19 -0.944 . . . . 0.0 109.735 -179.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 86.9 m-20 -134.6 165.67 24.68 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.281 -0.887 . . . . 0.0 109.38 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.8 m -64.02 -31.94 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.242 -0.911 . . . . 0.0 109.253 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.9 mtm -59.34 -38.97 81.71 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.367 -0.833 . . . . 0.0 109.379 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.55 -37.91 89.13 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.264 -0.898 . . . . 0.0 109.164 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -60.42 -41.83 94.78 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.235 -0.916 . . . . 0.0 108.913 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -62.19 -40.04 94.72 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.435 -0.79 . . . . 0.0 109.397 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.6 m -63.03 -38.88 92.96 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.369 -0.832 . . . . 0.0 109.591 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 16.3 mt -62.85 -41.6 99.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.308 -0.87 . . . . 0.0 109.64 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -63.92 -41.08 97.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.167 -0.958 . . . . 0.0 109.624 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.71 -41.36 92.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.276 -0.89 . . . . 0.0 109.928 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.456 ' SG ' ' NZ ' ' A' ' 104' ' ' LYS . 78.8 m -58.82 -48.09 82.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.101 -0.999 . . . . 0.0 109.635 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.49 -37.24 74.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.177 -0.952 . . . . 0.0 109.097 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.459 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 91.1 m-20 -58.78 -39.4 80.94 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.23 -0.919 . . . . 0.0 108.847 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.45 -41.27 98.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.38 -0.825 . . . . 0.0 109.061 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.43 ' O ' ' CB ' ' A' ' 132' ' ' LEU . 28.5 m-85 -66.25 -42.75 88.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.319 -0.863 . . . . 0.0 110.03 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.2 p -66.81 -39.22 87.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.229 -0.92 . . . . 0.0 110.238 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.665 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 55.9 m -69.03 -50.08 51.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.056 -1.028 . . . . 0.0 109.992 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 73.4 mt -69.72 -46.5 74.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 O-C-N 121.356 -0.84 . . . . 0.0 109.923 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.43 ' CB ' ' O ' ' A' ' 128' ' ' PHE . 28.6 tp -61.07 -41.8 97.31 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.268 -0.895 . . . . 0.0 110.217 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -64.97 -49.75 69.09 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.174 -0.954 . . . . 0.0 111.203 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 36.7 tp -65.52 -46.03 81.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.026 -1.046 . . . . 0.0 110.904 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 -87.37 4.62 42.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.155 -0.965 . . . . 0.0 110.897 -178.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -43.15 60.8 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.028 -1.045 . . . . 0.0 109.574 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.95 -20.31 64.2 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.326 -0.859 . . . . 0.0 109.554 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -89.0 -6.42 57.24 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.233 -0.917 . . . . 0.0 110.205 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.9 mt -112.02 147.67 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.376 -0.827 . . . . 0.0 109.664 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.4 m -76.53 155.19 33.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.367 -0.833 . . . . 0.0 109.543 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -56.86 -37.1 70.85 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.402 -0.811 . . . . 0.0 109.979 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 36.3 m -74.17 -45.53 47.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.693 -1.254 . . . . 0.0 109.498 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 36.7 t -64.08 -44.98 90.72 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.165 -0.96 . . . . 0.0 109.788 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.566 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 1.2 t -63.6 -38.93 92.98 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.044 -1.035 . . . . 0.0 108.56 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . 0.424 ' N ' ' CG2' ' A' ' 144' ' ' THR . 1.6 t30 -55.55 -41.69 73.61 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.257 -0.902 . . . . 0.0 108.66 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.8 m -61.99 -42.28 98.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.411 -0.806 . . . . 0.0 108.896 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 53.4 mt -61.45 -38.86 88.73 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.62 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -61.21 -35.86 78.33 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.134 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.43 ' CB ' ' HZ3' ' A' ' 149' ' ' LYS . 8.0 ttpm? -61.54 -43.65 98.47 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.384 -0.822 . . . . 0.0 109.2 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.4 HH22 ' HE2' ' A' ' 98' ' ' MET . 35.8 mtp180 -60.13 -40.0 88.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.264 -0.897 . . . . 0.0 108.691 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.49 -39.57 83.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -58.7 -38.99 79.47 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.307 -0.871 . . . . 0.0 108.821 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -61.1 -42.4 98.44 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . 0.664 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 74.4 m -65.95 -50.62 63.71 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.32 -0.862 . . . . 0.0 109.074 179.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -63.51 -39.67 95.04 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.281 -0.887 . . . . 0.0 109.167 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 26.9 mt -59.93 -47.94 89.69 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.294 -0.878 . . . . 0.0 109.676 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -63.52 -37.78 88.61 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 27.5 tp -58.79 -40.22 83.39 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.0 t -62.44 -36.34 82.11 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.364 -0.835 . . . . 0.0 108.992 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -60.93 -41.97 97.26 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.379 -0.826 . . . . 0.0 109.084 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.84 -35.25 80.13 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.936 . . . . 0.0 109.339 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.47 85.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.892 . . . . 0.0 109.754 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -81.69 -12.06 58.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.35 -4.52 80.4 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -95.31 142.96 27.1 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.283 -1.128 . . . . 0.0 109.232 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 10.3 tp -125.25 140.42 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.355 -0.84 . . . . 0.0 109.557 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -67.9 153.64 94.91 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.23 -0.919 . . . . 0.0 109.312 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -59.55 144.83 99.32 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.608 2.206 . . . . 0.0 112.16 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.96 -32.89 73.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.268 -0.895 . . . . 0.0 109.409 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 31.9 pt -118.51 159.85 18.67 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 O-C-N 121.579 -0.701 . . . . 0.0 109.558 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -57.98 -35.82 71.74 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.277 -0.889 . . . . 0.0 109.494 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -65.66 143.73 57.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.197 -0.939 . . . . 0.0 109.393 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -81.15 131.4 35.3 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.171 -0.956 . . . . 0.0 109.526 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -113.17 154.18 27.1 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.498 -0.751 . . . . 0.0 109.418 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 185' ' ' VAL . . . . . 0.407 HG11 ' H ' ' B' ' 188' ' ' ASP . 12.8 p -131.78 144.44 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.386 -0.821 . . . . 0.0 109.583 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -57.22 -35.2 69.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.422 -0.799 . . . . 0.0 110.328 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 71.1 t -59.62 -43.91 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.081 -1.012 . . . . 0.0 109.942 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . 0.407 ' H ' HG11 ' B' ' 185' ' ' VAL . 59.8 t0 -61.94 -35.0 77.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.82 -1.175 . . . . 0.0 109.578 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -59.01 -46.17 88.84 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.316 -0.865 . . . . 0.0 110.701 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.27 -43.65 73.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.19 -0.944 . . . . 0.0 110.568 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -58.2 -42.72 86.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.781 -1.2 . . . . 0.0 109.617 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.49 -37.87 88.08 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.2 -0.937 . . . . 0.0 109.252 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.69 -41.33 97.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.356 -0.84 . . . . 0.0 109.209 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -61.69 -42.47 98.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.232 -0.917 . . . . 0.0 109.426 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 37.6 tp -62.82 -40.87 98.72 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.197 -0.939 . . . . 0.0 109.366 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.9 97.6 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.252 -0.905 . . . . 0.0 109.209 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.08 -35.18 80.33 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.24 -0.913 . . . . 0.0 109.162 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -60.21 -43.75 95.7 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.292 -0.88 . . . . 0.0 109.325 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 3.5 tp -63.81 -43.04 97.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.915 . . . . 0.0 109.345 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -58.52 -37.83 76.47 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.321 -0.862 . . . . 0.0 109.018 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.81 81.48 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 5.8 tp -59.59 -39.72 85.1 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.55 -0.719 . . . . 0.0 109.076 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -87.71 -10.04 52.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.341 -0.849 . . . . 0.0 109.262 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.827 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.491 ' H3 ' ' ND2' ' A' ' 4' ' ' ASN . 88.1 mtp . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.331 0.586 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.84 87.99 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.157 -0.965 . . . . 0.0 109.218 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -63.54 -38.52 91.45 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.165 -0.959 . . . . 0.0 108.99 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.491 ' ND2' ' H3 ' ' A' ' 1' ' ' MET . 86.3 m-20 -57.34 -39.49 76.0 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.88 94.93 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.32 94.87 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.37 -0.831 . . . . 0.0 109.208 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -42.0 94.61 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -60.53 -38.51 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.26 -0.9 . . . . 0.0 109.336 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.98 -37.97 78.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.25 -0.906 . . . . 0.0 108.775 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.85 97.74 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.402 -0.919 . . . . 0.0 108.64 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 p -72.15 -32.99 67.4 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.409 -0.807 . . . . 0.0 109.032 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.83 86.27 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.379 -0.826 . . . . 0.0 109.119 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -64.39 -46.05 85.0 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.352 -0.842 . . . . 0.0 109.079 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -61.84 -39.15 90.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.257 -0.902 . . . . 0.0 109.245 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.55 -43.47 97.18 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.31 -0.869 . . . . 0.0 109.156 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.49 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 55.5 t0 -60.03 -38.06 81.6 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.263 -0.898 . . . . 0.0 109.053 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -59.25 -30.33 68.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.369 -0.832 . . . . 0.0 109.166 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.7 t -83.83 -8.84 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.36 -0.837 . . . . 0.0 109.424 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.39 17.02 56.28 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.7 mt -95.75 47.74 1.12 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.367 -1.078 . . . . 0.0 109.243 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.32 -34.23 53.8 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.789 -1.325 . . . . 0.0 109.789 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.6 mm -60.27 -51.22 75.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.144 -1.209 . . . . 0.0 109.421 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.475 HG23 HD11 ' A' ' 23' ' ' ILE . 20.1 mm -64.55 -42.04 94.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.296 -0.877 . . . . 0.0 109.15 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.98 -39.56 94.35 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -63.22 -47.64 81.66 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.161 -1.199 . . . . 0.0 110.394 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.675 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 69.2 t80 -60.28 -46.48 89.69 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.235 -0.916 . . . . 0.0 111.298 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.43 -33.24 75.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.557 -1.34 . . . . 0.0 109.745 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -60.0 -39.63 86.41 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.617 -1.302 . . . . 0.0 107.834 178.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.34 -38.04 85.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 178.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -65.85 -37.45 86.23 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.408 -0.807 . . . . 0.0 109.495 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.52 93.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.336 -0.853 . . . . 0.0 110.383 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.24 -42.86 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.836 -1.165 . . . . 0.0 109.237 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.66 -35.35 77.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.907 -1.12 . . . . 0.0 109.009 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 28.9 tp -64.44 -42.45 95.99 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.353 -0.842 . . . . 0.0 109.954 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.435 HD13 HG21 ' A' ' 35' ' ' ILE . 92.9 mt -62.4 -48.03 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.119 -0.988 . . . . 0.0 110.115 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -62.67 -36.06 81.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.313 -0.867 . . . . 0.0 109.246 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.3 m -83.91 0.03 49.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.257 -0.902 . . . . 0.0 108.973 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -89.82 150.01 22.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.481 -0.762 . . . . 0.0 109.909 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.07 151.15 15.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.409 -0.807 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -57.9 130.64 47.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 0.0 109.707 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 57.5 ttt-85 -117.41 169.71 9.3 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.7 p -57.77 166.5 1.39 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.124 -0.985 . . . . 0.0 110.417 -178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.76 -32.03 65.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.668 -0.645 . . . . 0.0 110.652 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.06 -37.11 31.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.832 -1.167 . . . . 0.0 108.346 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.563 ' O ' ' SD ' ' A' ' 45' ' ' MET . 4.8 tmm? -63.28 -38.15 90.03 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.428 -0.795 . . . . 0.0 108.919 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.7 m -59.69 -40.49 88.03 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.494 -0.753 . . . . 0.0 109.146 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.85 97.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.236 -0.915 . . . . 0.0 108.904 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.72 -37.45 87.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.868 . . . . 0.0 109.239 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.78 97.36 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.238 -0.914 . . . . 0.0 108.791 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.2 m -60.7 -39.86 90.12 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.308 -0.87 . . . . 0.0 109.085 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.51 -40.94 96.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.352 -0.842 . . . . 0.0 109.455 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.75 -42.27 97.07 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.148 -0.97 . . . . 0.0 109.518 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.76 -40.47 92.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.019 -1.05 . . . . 0.0 108.68 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -61.61 -37.84 85.42 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 59' ' ' PHE . 48.5 m -59.88 -41.29 91.25 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.672 -0.643 . . . . 0.0 109.667 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 81.6 mt -57.55 -53.98 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.045 -1.035 . . . . 0.0 108.797 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -62.39 -36.95 83.91 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.601 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.99 -32.3 72.61 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 55' ' ' THR . 78.7 t80 -59.43 -54.09 50.67 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.336 -0.853 . . . . 0.0 109.344 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -62.45 -44.0 97.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.957 . . . . 0.0 109.603 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -83.2 -2.23 55.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.32 -0.862 . . . . 0.0 110.345 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.601 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.41 -34.94 17.68 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 110.046 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.419 ' CD1' ' SD ' ' A' ' 79' ' ' MET . 86.1 mt -68.65 -41.26 82.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.137 -0.977 . . . . 0.0 109.854 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.51 -5.33 81.65 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.99 -0.82 84.52 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -66.73 -46.83 74.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.066 -1.255 . . . . 0.0 108.788 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 t -67.7 -31.41 71.36 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.525 0.679 . . . . 0.0 109.338 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' ALA . 79.0 mm-40 -60.98 -30.04 70.04 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.55 -0.719 . . . . 0.0 109.792 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -40.96 -36.99 0.73 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.232 -0.918 . . . . 0.0 110.375 -179.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -113.07 134.06 54.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.213 -0.929 . . . . 0.0 109.777 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 49.78 48.37 21.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.283 -0.886 . . . . 0.0 109.242 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.5 p -59.74 -36.88 77.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.225 -0.922 . . . . 0.0 110.446 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.6 ' O ' ' CD2' ' A' ' 77' ' ' HIS . 90.2 m-20 -62.6 -45.44 92.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.069 -1.019 . . . . 0.0 110.453 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -64.34 -41.49 96.75 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.118 -0.989 . . . . 0.0 110.641 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.5 m -62.52 -45.01 94.94 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.015 -1.053 . . . . 0.0 110.101 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 89.2 mt -67.22 -37.57 83.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.185 -0.947 . . . . 0.0 109.916 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 56.8 m-70 -60.1 -45.4 93.07 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.173 -0.954 . . . . 0.0 110.372 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.4 t -69.04 -50.37 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.945 -1.097 . . . . 0.0 110.196 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.419 ' SD ' ' CD1' ' A' ' 63' ' ' ILE . 70.1 mtm -68.51 -46.51 69.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.121 -0.987 . . . . 0.0 110.473 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.584 ' OD1' ' CE1' ' A' ' 84' ' ' HIS . 36.1 t30 -66.53 -43.48 85.08 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.077 -1.014 . . . . 0.0 110.899 -178.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 39.1 m -68.57 -49.05 62.41 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.126 -0.984 . . . . 0.0 111.797 -178.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.8 mt -72.12 -34.14 68.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.795 -1.191 . . . . 0.0 111.279 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 86.8 mt -79.13 -34.57 16.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.02 -1.05 . . . . 0.0 111.188 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.584 ' CE1' ' OD1' ' A' ' 80' ' ' ASN . 78.6 m80 -92.34 -26.65 17.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 0.0 111.269 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.569 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 54.2 t0 -87.84 105.94 17.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.676 -1.265 . . . . 0.0 109.994 -179.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -62.33 -37.31 85.15 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.385 -0.822 . . . . 0.0 110.446 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.97 -45.35 92.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 0.0 109.829 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.569 ' NZ ' ' OD2' ' A' ' 85' ' ' ASP . 33.2 mttp -64.89 -34.53 78.6 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.261 -0.899 . . . . 0.0 109.043 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.29 -42.06 72.55 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.132 -0.98 . . . . 0.0 109.312 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -48.4 81.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.126 -0.984 . . . . 0.0 109.768 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.463 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -72.77 -43.05 61.46 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.326 -0.859 . . . . 0.0 109.324 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 58.7 t80 -63.41 -48.69 76.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.197 -0.939 . . . . 0.0 109.059 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.675 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 65.0 mtm -65.72 -37.64 86.98 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 0.0 109.686 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.0 tp -61.21 -41.27 96.55 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.08 -1.012 . . . . 0.0 108.952 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -61.9 -42.54 99.19 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.31 -0.869 . . . . 0.0 109.387 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -64.45 -49.0 73.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 0.0 109.763 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 35.4 p -62.69 -43.52 98.59 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.132 -0.98 . . . . 0.0 109.924 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 94.0 mmm -65.27 -42.07 93.56 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.137 -0.977 . . . . 0.0 109.407 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.8 p -72.58 -36.38 68.16 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.262 -0.899 . . . . 0.0 109.514 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 30.6 tp -66.51 -42.09 87.88 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.285 -0.884 . . . . 0.0 109.667 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.665 ' CZ ' ' SG ' ' A' ' 154' ' ' CYS . 75.8 t80 -64.66 -43.93 92.03 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.396 -0.815 . . . . 0.0 109.975 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -58.95 -46.18 88.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.234 -0.916 . . . . 0.0 109.951 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.17 -45.98 82.68 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.162 -0.961 . . . . 0.0 109.488 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -65.02 -36.14 83.44 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.316 -0.865 . . . . 0.0 109.174 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.4 tp -55.42 -48.59 74.18 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.307 -0.871 . . . . 0.0 108.886 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -60.85 -38.04 84.17 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.256 -0.902 . . . . 0.0 108.958 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.59 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.0 mt-30 -60.68 -39.37 88.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.375 -0.828 . . . . 0.0 109.503 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.0 mt -64.81 -37.81 88.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.921 -1.112 . . . . 0.0 109.267 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -77.96 -53.73 7.11 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.308 -0.87 . . . . 0.0 110.808 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -99.0 -22.97 15.47 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.27 -0.894 . . . . 0.0 110.894 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -90.26 148.99 19.98 Favored Glycine 0 N--CA 1.492 2.415 0 C-N-CA 119.52 -1.324 . . . . 0.0 110.166 -178.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -72.34 154.35 56.13 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.653 2.235 . . . . 0.0 112.147 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -86.61 123.73 32.12 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.205 -0.935 . . . . 0.0 109.377 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -131.49 163.04 28.85 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.345 -0.847 . . . . 0.0 109.012 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.408 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -62.15 -32.75 55.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.183 -0.948 . . . . 0.0 109.112 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.408 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.6 mtm -60.52 -43.4 97.15 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.442 -0.786 . . . . 0.0 109.712 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 72.4 mt -67.69 -37.54 82.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.355 -0.841 . . . . 0.0 109.581 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.411 ' O ' ' CE3' ' A' ' 122' ' ' TRP . 58.2 mttp -60.11 -42.77 95.43 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.262 -0.899 . . . . 0.0 110.037 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -67.4 -45.73 75.32 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.882 -1.136 . . . . 0.0 110.155 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.56 ' O ' ' SG ' ' A' ' 124' ' ' CYS . 84.1 p -71.99 -42.1 66.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.185 -0.947 . . . . 0.0 110.243 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.16 -39.06 89.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.118 -0.989 . . . . 0.0 109.439 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . 0.411 ' CE3' ' O ' ' A' ' 118' ' ' LYS . 0.9 OUTLIER -59.73 -44.89 93.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.022 -1.049 . . . . 0.0 108.325 179.334 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 78.7 m -65.28 -33.66 76.51 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.407 -0.808 . . . . 0.0 109.282 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.56 ' SG ' ' O ' ' A' ' 120' ' ' SER . 74.4 m -57.92 -50.17 74.25 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.289 -0.882 . . . . 0.0 109.69 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 72.7 mt -62.02 -44.13 98.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 O-C-N 121.117 -0.989 . . . . 0.0 109.354 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.54 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 89.3 m-20 -63.97 -39.56 94.4 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.305 -0.872 . . . . 0.0 109.896 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 39.5 tp -62.61 -45.56 92.29 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 109.834 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -66.6 -42.83 86.28 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.306 -0.871 . . . . 0.0 109.47 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.1 p -63.75 -34.12 77.18 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.886 . . . . 0.0 109.559 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.54 ' SG ' ' O ' ' A' ' 126' ' ' ASP . 73.1 m -65.11 -43.94 90.39 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.232 -0.918 . . . . 0.0 109.027 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 95.7 mt -58.52 -44.15 88.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 O-C-N 121.373 -0.829 . . . . 0.0 109.664 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.591 ' O ' ' N ' ' A' ' 136' ' ' LYS . 53.2 mt -62.79 -39.07 93.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.261 -0.899 . . . . 0.0 109.729 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -57.82 -49.34 76.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.314 -0.866 . . . . 0.0 110.411 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 41.1 tp -64.3 -45.74 86.63 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.99 -1.069 . . . . 0.0 110.025 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -87.98 -0.65 57.28 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.223 -0.923 . . . . 0.0 110.958 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.591 ' N ' ' O ' ' A' ' 132' ' ' LEU . 2.4 tmtt? -49.24 -39.0 28.63 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.857 -1.152 . . . . 0.0 109.875 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.06 -26.26 67.41 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.158 -0.963 . . . . 0.0 109.785 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -89.01 -5.97 57.54 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.2 -0.937 . . . . 0.0 110.569 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.0 mm -104.67 143.29 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.063 -1.023 . . . . 0.0 109.295 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 30.7 t -78.14 154.3 31.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.292 -0.88 . . . . 0.0 109.192 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.53 -39.38 64.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.802 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.0 m -72.26 -45.34 60.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.856 -1.153 . . . . 0.0 109.466 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 44.3 t -64.06 -44.75 91.46 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.206 -0.934 . . . . 0.0 109.701 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.408 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.6 OUTLIER -63.67 -38.8 92.49 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.047 -1.033 . . . . 0.0 108.498 179.46 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . 0.505 ' ND2' ' HZ3' ' A' ' 149' ' ' LYS . 0.4 OUTLIER -56.24 -43.33 78.57 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.338 -0.851 . . . . 0.0 109.133 179.702 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.0 m -61.21 -44.64 96.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.256 -0.902 . . . . 0.0 109.292 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 46.1 mt -61.63 -38.83 89.13 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.618 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -61.9 -35.62 78.89 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.154 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . 0.505 ' HZ3' ' ND2' ' A' ' 145' ' ' ASN . 26.9 mttp -61.35 -42.1 98.13 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.263 -0.898 . . . . 0.0 108.874 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -58.4 -42.65 87.61 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . 0.402 HG23 HD12 ' A' ' 151' ' ' ILE . 33.0 mm -64.23 -37.95 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 178.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 156' ' ' ILE . 30.0 tttt -57.49 -39.21 75.93 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -61.51 -46.96 87.78 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . 0.665 ' SG ' ' CZ ' ' A' ' 101' ' ' TYR . 38.1 m -67.14 -49.91 63.13 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -61.8 -32.06 72.32 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 152' ' ' LYS . 1.8 mt -58.25 -37.93 65.7 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -39.47 93.34 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 178.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -59.04 -39.03 80.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.369 -0.832 . . . . 0.0 108.887 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.0 t -61.45 -43.46 98.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.401 -0.812 . . . . 0.0 109.886 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . 0.706 ' HZ2' ' H ' ' A' ' 167' ' ' GLY . 8.1 mtmp? -61.69 -39.12 90.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.064 -1.022 . . . . 0.0 109.494 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.404 ' CD2' ' CD1' ' A' ' 166' ' ' ILE . 56.6 mt -61.64 -37.35 83.69 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.033 -1.042 . . . . 0.0 108.791 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.5 80.95 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.399 -0.813 . . . . 0.0 109.051 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -81.42 -12.81 58.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.277 -0.889 . . . . 0.0 109.167 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.33 0.4 70.46 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.73 142.23 27.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.079 -1.248 . . . . 0.0 109.704 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.404 ' CD1' ' CD2' ' A' ' 161' ' ' LEU . 36.3 mm -116.42 137.09 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.427 -0.796 . . . . 0.0 109.495 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . 0.706 ' H ' ' HZ2' ' A' ' 160' ' ' LYS . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -67.9 153.9 94.49 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 0.0 109.377 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -58.27 143.49 97.15 Favored 'Trans proline' 0 C--N 1.308 -1.584 0 C-N-CA 122.625 2.216 . . . . 0.0 112.099 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.72 -34.57 71.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.252 -0.905 . . . . 0.0 109.53 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 180' ' ' ILE . . . . . 0.409 HG12 ' H ' ' B' ' 182' ' ' ALA . 14.6 tt -123.03 136.33 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.493 -0.754 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 181' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' B' ' 183' ' ' LYS . 61.7 mttm -58.28 -35.87 72.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.169 -0.957 . . . . 0.0 109.512 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 182' ' ' ALA . . . . . 0.409 ' H ' HG12 ' B' ' 180' ' ' ILE . . . 62.12 -79.45 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.344 -0.847 . . . . 0.0 109.533 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' B' ' 181' ' ' LYS . 75.6 tttt -67.01 136.06 54.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.196 -0.94 . . . . 0.0 109.589 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -107.52 161.33 14.94 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.422 -0.799 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 39.3 t -104.13 136.75 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.257 -0.902 . . . . 0.0 109.589 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -55.25 -34.24 63.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.376 -0.827 . . . . 0.0 109.937 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 78.8 t -58.61 -43.46 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.147 -0.971 . . . . 0.0 109.724 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -60.97 -35.5 76.95 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.935 -1.103 . . . . 0.0 109.682 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -60.04 -45.89 91.35 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.323 -0.86 . . . . 0.0 110.849 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -68.96 -43.04 75.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.165 -0.96 . . . . 0.0 110.634 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -57.82 -43.89 86.06 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.731 -1.23 . . . . 0.0 109.501 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.85 -37.96 89.34 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.135 -0.978 . . . . 0.0 109.017 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -62.29 -39.05 91.69 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.326 -0.859 . . . . 0.0 109.138 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -60.8 -47.14 87.71 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.32 -0.862 . . . . 0.0 109.503 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.14 -40.52 86.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.116 -0.99 . . . . 0.0 109.321 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -66.6 -44.62 81.63 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.27 -0.894 . . . . 0.0 109.48 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -65.3 -35.58 81.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.287 -0.883 . . . . 0.0 109.44 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -61.51 -42.79 99.33 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.259 -0.901 . . . . 0.0 109.382 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 8.3 tp -63.97 -42.76 97.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.277 -0.89 . . . . 0.0 109.467 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -60.51 -39.64 88.51 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.241 -0.912 . . . . 0.0 109.315 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.33 -36.26 82.46 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.123 -0.985 . . . . 0.0 108.639 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 14.9 tp -60.7 -38.21 84.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.549 -0.719 . . . . 0.0 109.191 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -87.61 -10.96 49.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.271 -0.893 . . . . 0.0 109.414 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.353 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.301 0.572 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.16 -40.01 84.28 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.144 -0.972 . . . . 0.0 109.116 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -64.48 -34.67 78.75 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.146 -0.971 . . . . 0.0 108.862 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -58.89 -42.38 89.37 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.77 95.32 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.1 93.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.331 -0.855 . . . . 0.0 109.182 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.432 ' CG ' HH11 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.02 -41.5 92.3 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.171 -0.956 . . . . 0.0 108.516 179.386 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.95 -37.4 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.372 -0.83 . . . . 0.0 109.08 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.57 -38.01 76.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.79 -42.51 97.72 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.7 p -69.21 -35.24 76.0 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.9 -46.06 78.49 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -63.61 -39.19 93.74 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.323 -0.861 . . . . 0.0 108.826 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -60.04 -43.0 95.62 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.37 -0.831 . . . . 0.0 109.744 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -61.87 -41.13 97.48 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.085 -1.009 . . . . 0.0 109.441 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 21.1 t70 -58.78 -39.15 80.21 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.157 -0.965 . . . . 0.0 108.919 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -60.88 -33.15 72.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.392 -0.818 . . . . 0.0 109.388 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -84.41 -8.49 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.319 -0.863 . . . . 0.0 109.519 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.48 9.52 66.7 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 2.7 mm? -95.64 50.79 1.24 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.326 -1.103 . . . . 0.0 108.655 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.29 -32.76 64.15 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.561 ' CD1' ' N ' ' A' ' 22' ' ' ILE . 1.2 mp -57.88 -48.48 83.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 120.992 -1.299 . . . . 0.0 109.555 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.1 mm -61.9 -42.5 94.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.221 -0.924 . . . . 0.0 108.642 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.76 -38.46 95.25 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -63.27 -47.45 82.3 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.082 -1.246 . . . . 0.0 110.764 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.667 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 78.0 t80 -61.26 -45.72 93.34 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.203 -0.936 . . . . 0.0 111.311 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.04 -33.67 76.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.601 -1.312 . . . . 0.0 109.73 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.22 -40.1 88.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.598 -1.314 . . . . 0.0 107.78 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.7 mt -61.25 -37.14 82.03 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.589 ' CZ ' ' OD2' ' A' ' 126' ' ' ASP . 85.8 t80 -66.6 -35.85 81.18 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.462 -0.773 . . . . 0.0 109.168 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.9 -45.78 93.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.319 -0.863 . . . . 0.0 110.113 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.0 p -65.44 -42.0 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.907 -1.121 . . . . 0.0 108.823 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.68 -35.38 77.81 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.929 -1.107 . . . . 0.0 108.78 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 21.7 tp -63.05 -42.77 99.81 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.456 -0.778 . . . . 0.0 109.694 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.5 mt -62.73 -48.2 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 121.211 -0.931 . . . . 0.0 109.905 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.504 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -65.38 -34.93 79.48 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.357 -0.839 . . . . 0.0 109.367 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.0 m -82.42 -0.15 44.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.203 -0.936 . . . . 0.0 109.114 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -90.83 150.08 21.7 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.374 -0.829 . . . . 0.0 109.622 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.91 150.18 17.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.152 -0.967 . . . . 0.0 109.271 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -58.54 133.31 55.72 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.275 -0.89 . . . . 0.0 109.987 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -122.87 170.13 10.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.714 -0.616 . . . . 0.0 109.467 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p -58.32 171.26 0.59 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.28 -0.888 . . . . 0.0 109.556 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.497 ' O ' ' OG1' ' A' ' 46' ' ' THR . 94.6 mt-30 -56.29 -27.84 56.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.389 -0.819 . . . . 0.0 110.512 -178.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.56 -40.52 52.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.793 -1.192 . . . . 0.0 109.372 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 56.0 ttp -63.97 -36.88 85.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.019 -1.051 . . . . 0.0 109.222 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.524 ' HG1' ' N ' ' A' ' 47' ' ' ALA . 34.7 p -63.21 -36.43 83.61 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 121.204 -0.935 . . . . 0.0 109.104 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.524 ' N ' ' HG1' ' A' ' 46' ' ' THR . . . -64.35 -42.2 96.36 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.278 -0.889 . . . . 0.0 108.665 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.01 -36.35 83.28 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.364 -0.835 . . . . 0.0 109.065 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.88 98.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.267 -0.895 . . . . 0.0 109.053 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.2 m -61.21 -42.9 99.4 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.225 -0.922 . . . . 0.0 109.125 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.63 -41.2 98.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.276 -0.89 . . . . 0.0 109.059 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.45 -40.55 91.56 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.286 -0.884 . . . . 0.0 109.106 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.1 tp -60.01 -40.62 89.91 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.234 -0.916 . . . . 0.0 108.912 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -59.88 -40.25 88.05 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.9 m -60.49 -40.77 92.52 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.675 -0.64 . . . . 0.0 109.599 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.6 mt -57.19 -53.11 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.182 -0.949 . . . . 0.0 109.05 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.587 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 97.0 mt-10 -63.47 -36.59 84.26 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.48 -33.59 76.04 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' THR . 75.9 t80 -59.65 -54.49 45.76 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.262 -0.899 . . . . 0.0 109.452 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -61.08 -43.88 98.22 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.129 -0.982 . . . . 0.0 109.564 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -83.0 -3.21 56.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.261 -0.9 . . . . 0.0 110.386 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.6 tt0 -50.4 -34.26 23.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.084 -1.01 . . . . 0.0 109.96 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.437 ' C ' ' H ' ' A' ' 65' ' ' GLY . 85.9 mt -68.32 -37.02 77.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.187 -0.945 . . . . 0.0 109.604 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.68 -5.39 11.71 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 91.23 -4.59 80.85 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.09 -46.6 83.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.057 -1.261 . . . . 0.0 109.658 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.6 m -64.97 -35.04 79.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.278 -0.889 . . . . 0.0 109.014 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 69' ' ' ALA . 96.9 mt-10 -63.27 -28.83 70.29 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.553 -0.717 . . . . 0.0 109.723 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -39.55 -37.48 0.49 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.338 -0.851 . . . . 0.0 110.031 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -112.39 133.86 54.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.361 -0.837 . . . . 0.0 109.248 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 51.08 47.88 24.07 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.176 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.499 ' HG ' ' N ' ' A' ' 73' ' ' ASP . 53.9 p -58.65 -36.79 74.68 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.176 -0.953 . . . . 0.0 110.112 -179.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.499 ' N ' ' HG ' ' A' ' 72' ' ' SER . 53.6 t0 -61.04 -44.62 97.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.109 -0.995 . . . . 0.0 109.922 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -67.98 -45.24 74.7 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.35 -0.844 . . . . 0.0 110.534 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.1 m -61.12 -43.99 98.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.07 -1.019 . . . . 0.0 110.147 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.486 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 96.7 mt -68.02 -39.35 83.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.266 -0.896 . . . . 0.0 110.111 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.5 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 75.9 t60 -62.76 -45.63 91.81 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.285 -0.884 . . . . 0.0 110.241 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.0 t -69.51 -48.74 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.086 -1.009 . . . . 0.0 110.573 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 96.8 mmm -66.91 -45.66 77.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.225 -0.922 . . . . 0.0 111.031 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.63 ' OD1' ' N ' ' A' ' 81' ' ' THR . 29.7 p-10 -70.54 -41.69 72.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.799 -1.188 . . . . 0.0 111.139 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.63 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 63.2 m -63.21 -47.33 83.01 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.92 -1.113 . . . . 0.0 111.385 -178.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.9 mt -73.6 -34.04 64.88 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.976 -1.077 . . . . 0.0 111.043 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.5 mt -79.66 -42.43 22.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 120.977 -1.077 . . . . 0.0 110.992 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.521 ' HD1' ' C ' ' A' ' 80' ' ' ASN . 76.1 m80 -72.87 -47.88 42.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.022 -1.049 . . . . 0.0 111.087 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.439 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 64.5 t0 -83.93 110.38 18.36 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.904 -1.123 . . . . 0.0 110.222 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -61.94 -36.73 82.27 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.495 -0.753 . . . . 0.0 110.299 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.93 -41.77 88.12 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.162 -0.961 . . . . 0.0 109.887 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.453 ' O ' ' CD1' ' A' ' 91' ' ' ILE . 30.2 mmtm -61.52 -36.62 81.06 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.85 69.95 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.318 -0.864 . . . . 0.0 109.588 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -58.16 -48.89 78.89 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.233 -0.917 . . . . 0.0 110.887 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.528 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 0.1 OUTLIER -78.29 -37.5 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.723 -1.235 . . . . 0.0 108.916 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.528 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 64.6 t80 -60.8 -46.94 88.54 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.667 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 71.7 mtm -66.75 -38.51 86.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.3 -0.875 . . . . 0.0 109.23 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 tp -61.96 -41.01 97.51 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.183 -0.948 . . . . 0.0 109.218 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -64.24 -44.61 91.3 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.502 -0.749 . . . . 0.0 109.986 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -64.51 -44.25 91.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.283 -0.885 . . . . 0.0 109.946 -179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 32.9 p -61.99 -41.42 98.01 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.105 -0.997 . . . . 0.0 109.561 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.3 ttm -64.6 -46.08 84.19 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.231 -0.918 . . . . 0.0 109.258 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.1 p -72.6 -37.27 68.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.326 -0.859 . . . . 0.0 109.717 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 20.8 tp -66.57 -40.84 89.18 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.316 -0.865 . . . . 0.0 109.395 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.661 ' CZ ' ' SG ' ' A' ' 154' ' ' CYS . 86.8 t80 -63.71 -44.81 92.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.465 -0.772 . . . . 0.0 109.871 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -58.91 -41.58 87.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 109.562 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -61.34 -40.53 94.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.3 -0.875 . . . . 0.0 109.486 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.552 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 83.9 mttt -62.48 -40.91 98.19 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.242 -0.911 . . . . 0.0 109.752 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.1 mt -58.29 -44.2 88.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.077 -1.014 . . . . 0.0 109.176 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -60.68 -39.01 86.83 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.208 -0.932 . . . . 0.0 109.31 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' A' ' 111' ' ' GLY . 94.7 mt-30 -63.08 -39.18 93.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.364 -0.835 . . . . 0.0 109.764 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.443 ' O ' ' CZ2' ' A' ' 113' ' ' TRP . 80.2 mt -64.13 -37.5 87.68 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.008 -1.057 . . . . 0.0 109.692 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -77.48 -53.69 7.33 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.2 -0.937 . . . . 0.0 110.817 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -98.74 -22.87 15.66 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.215 -0.928 . . . . 0.0 110.882 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -87.91 154.61 25.79 Favored Glycine 0 N--CA 1.493 2.495 0 C-N-CA 119.485 -1.341 . . . . 0.0 110.224 -178.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.09 154.31 70.61 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.853 2.369 . . . . 0.0 111.903 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.443 ' CZ2' ' O ' ' A' ' 108' ' ' LEU . 19.5 m-90 -96.55 120.75 37.44 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.219 -0.925 . . . . 0.0 109.746 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 39.5 t0 -135.78 165.57 25.3 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.144 -0.972 . . . . 0.0 109.315 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.488 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 4.2 m -62.92 -32.07 54.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.317 -0.865 . . . . 0.0 109.689 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.4 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 68.6 mtm -59.15 -39.63 83.05 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.33 -0.856 . . . . 0.0 109.436 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.54 -37.96 89.32 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.19 -0.944 . . . . 0.0 109.084 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.405 ' HZ3' ' HB3' ' A' ' 161' ' ' LEU . 73.3 mttt -58.85 -42.99 90.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.293 -0.879 . . . . 0.0 108.869 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -61.53 -39.32 90.62 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.426 -0.796 . . . . 0.0 109.097 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.552 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 21.5 t -62.11 -39.81 93.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.318 -0.864 . . . . 0.0 109.598 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.85 -41.61 98.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.252 -0.905 . . . . 0.0 109.502 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -61.13 -42.42 98.5 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.063 -1.023 . . . . 0.0 109.503 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . 0.542 ' SG ' ' N ' ' A' ' 124' ' ' CYS . 0.1 OUTLIER -69.41 -41.79 75.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.175 -0.953 . . . . 0.0 109.669 179.757 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.542 ' N ' ' SG ' ' A' ' 123' ' ' CYS . 0.0 OUTLIER -62.61 -50.07 72.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.263 -0.898 . . . . 0.0 110.067 -179.625 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.24 -43.53 93.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.16 -0.962 . . . . 0.0 109.627 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . 0.589 ' OD2' ' CZ ' ' A' ' 30' ' ' TYR . 55.0 t0 -62.47 -41.65 98.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.282 -0.886 . . . . 0.0 109.98 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 43.1 tp -63.39 -42.71 98.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -0.892 . . . . 0.0 109.973 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.435 ' CE2' ' CD1' ' A' ' 132' ' ' LEU . 34.4 t80 -67.13 -43.95 81.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.311 -0.868 . . . . 0.0 109.347 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -68.46 -36.76 79.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.351 -0.843 . . . . 0.0 109.87 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' A' ' 126' ' ' ASP . 93.4 m -60.19 -49.14 78.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -0.874 . . . . 0.0 109.894 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.53 -50.17 81.41 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.071 -1.018 . . . . 0.0 109.741 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 136' ' ' LYS . 67.3 mt -66.56 -36.64 83.15 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.903 . . . . 0.0 110.116 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -59.61 -49.77 76.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.068 -1.02 . . . . 0.0 109.838 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 36.2 tp -67.01 -42.86 84.26 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.091 -1.006 . . . . 0.0 109.435 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -86.89 4.08 42.86 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.498 -0.752 . . . . 0.0 109.914 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -53.08 -37.9 62.06 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.298 -0.876 . . . . 0.0 109.855 -179.584 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.94 -24.05 67.68 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.137 -0.977 . . . . 0.0 109.471 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -89.41 -6.61 56.42 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.318 -0.864 . . . . 0.0 109.999 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.9 mt -111.71 148.0 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.369 -0.832 . . . . 0.0 109.553 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 31.5 t -76.74 154.37 34.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.266 -0.896 . . . . 0.0 109.451 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -57.61 -39.36 76.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.316 -0.865 . . . . 0.0 110.037 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 53.2 m -70.32 -45.15 66.8 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.673 -1.267 . . . . 0.0 109.409 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 31.8 m -63.62 -44.94 92.44 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.198 -0.939 . . . . 0.0 109.413 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.582 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.6 OUTLIER -65.44 -39.06 91.6 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.201 -0.937 . . . . 0.0 108.607 179.429 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . 0.575 ' C ' HD21 ' A' ' 145' ' ' ASN . 0.1 OUTLIER -55.12 -41.58 71.89 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.318 -0.864 . . . . 0.0 108.881 179.425 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.3 m -63.67 -43.24 97.28 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.369 -0.832 . . . . 0.0 109.304 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.22 -44.0 97.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.261 -0.899 . . . . 0.0 108.883 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.594 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -62.49 -34.17 76.32 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.02 -41.6 92.56 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.412 -0.805 . . . . 0.0 108.958 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.2 -41.05 97.99 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 83.9 mt -61.41 -38.27 79.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -58.22 -40.85 82.74 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -58.51 -43.52 89.17 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . 0.661 ' SG ' ' CZ ' ' A' ' 101' ' ' TYR . 23.6 m -63.66 -50.38 69.49 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -61.65 -34.47 75.77 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.498 -0.751 . . . . 0.0 109.193 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 13.3 mt -57.74 -47.93 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.308 -0.87 . . . . 0.0 109.804 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -62.99 -40.69 98.51 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.191 -1.041 . . . . 0.0 108.191 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 32.7 tp -59.6 -41.3 90.03 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.553 -0.717 . . . . 0.0 109.218 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.2 m -62.57 -38.05 88.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -0.862 . . . . 0.0 109.365 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -61.22 -40.34 93.64 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.19 -0.944 . . . . 0.0 109.074 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.405 ' HB3' ' HZ3' ' A' ' 118' ' ' LYS . 10.7 mp -65.42 -35.51 81.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.285 -0.885 . . . . 0.0 109.115 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.85 -36.96 82.75 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.295 -0.878 . . . . 0.0 109.071 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -81.44 -12.65 58.84 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.247 -0.908 . . . . 0.0 109.056 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.23 -2.59 71.57 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -94.74 141.5 28.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.195 -1.179 . . . . 0.0 109.738 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.409 HD12 HG21 ' A' ' 166' ' ' ILE . 39.7 mm -117.45 135.57 57.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.562 -0.711 . . . . 0.0 109.425 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 CA-C-O 117.999 -1.445 . . . . 0.0 109.528 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.295 0.569 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -68.0 154.27 94.04 Favored Pre-proline 0 N--CA 1.488 1.469 0 O-C-N 121.198 -0.939 . . . . 0.0 109.354 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -45.06 144.69 3.68 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 122.359 2.04 . . . . 0.0 112.059 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -107.07 147.49 29.92 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.372 -0.83 . . . . 0.0 109.408 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 180' ' ' ILE . . . . . 0.673 ' CD1' HD22 ' B' ' 186' ' ' ASN . 15.2 tt -124.69 136.4 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.429 -0.794 . . . . 0.0 109.606 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -89.64 148.24 23.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.306 -0.871 . . . . 0.0 109.223 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -60.2 -33.92 72.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.214 -0.929 . . . . 0.0 109.451 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 24.1 tttm -58.86 -36.64 74.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.208 -0.933 . . . . 0.0 109.557 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -94.69 136.6 34.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.912 . . . . 0.0 109.473 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 39.6 t -124.75 137.96 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.451 -0.781 . . . . 0.0 109.666 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 186' ' ' ASN . . . . . 0.673 HD22 ' CD1' ' B' ' 180' ' ' ILE . 14.3 m-80 -74.94 158.83 32.65 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.207 -0.933 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 187' ' ' VAL . . . . . 0.485 ' CG1' ' HZ2' ' B' ' 191' ' ' LYS . 70.9 t -64.68 -45.49 95.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.283 -0.886 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -61.55 -36.09 79.62 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.964 -1.085 . . . . 0.0 109.555 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -60.17 -46.03 91.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.388 -0.82 . . . . 0.0 110.864 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.61 -41.49 83.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.055 -1.028 . . . . 0.0 110.448 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 191' ' ' LYS . . . . . 0.485 ' HZ2' ' CG1' ' B' ' 187' ' ' VAL . 9.6 mttp -57.28 -41.3 79.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.654 -1.279 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.32 -39.12 92.04 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.172 -0.955 . . . . 0.0 109.025 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.43 -40.11 95.51 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.341 -0.849 . . . . 0.0 109.101 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -60.67 -42.72 97.64 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.343 -0.848 . . . . 0.0 109.292 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.35 -40.07 89.39 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.245 -0.909 . . . . 0.0 109.231 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.65 -40.21 96.31 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.872 . . . . 0.0 109.103 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -64.96 -34.99 79.73 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.2 -0.938 . . . . 0.0 108.987 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . 0.587 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 67.2 ttt-85 -60.48 -43.1 97.34 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.308 -0.87 . . . . 0.0 108.881 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.41 -41.43 97.14 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.269 -0.894 . . . . 0.0 108.708 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 200' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' B' ' 204' ' ' GLY . 94.1 mtt-85 -58.32 -37.29 74.81 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.339 -0.851 . . . . 0.0 108.756 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.99 82.25 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 11.6 tp -59.06 -40.21 84.46 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -88.16 -7.59 56.66 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.376 -0.827 . . . . 0.0 109.371 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 204' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' B' ' 200' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 117.98 -1.455 . . . . 0.0 109.536 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.482 ' H1 ' ' CD ' ' A' ' 38' ' ' GLU . 87.8 mtp . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.352 0.596 . . . . 0.0 109.532 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.436 ' CB ' ' SD ' ' A' ' 45' ' ' MET . . . -59.79 -37.05 78.02 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.094 -1.004 . . . . 0.0 109.173 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -63.29 -39.89 95.84 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.197 -0.939 . . . . 0.0 109.076 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -58.06 -42.53 85.67 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.4 -39.25 93.49 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.8 -46.7 84.27 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.275 -0.89 . . . . 0.0 109.491 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -60.69 -40.81 93.59 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.069 -1.02 . . . . 0.0 109.064 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 37.6 t -60.97 -38.78 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 121.33 -0.856 . . . . 0.0 108.924 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.38 -38.01 79.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 121.313 -0.867 . . . . 0.0 108.837 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.22 94.92 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.271 -0.972 . . . . 0.0 108.532 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 p -67.54 -35.78 79.73 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.87 91.62 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.457 -0.777 . . . . 0.0 109.048 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -62.83 -42.08 99.59 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.304 -0.872 . . . . 0.0 108.987 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -61.01 -41.49 96.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.231 -0.918 . . . . 0.0 109.383 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.98 -41.09 99.46 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.351 -0.843 . . . . 0.0 109.521 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -58.65 -39.4 80.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.162 -0.961 . . . . 0.0 108.794 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.27 -30.63 70.58 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.471 -0.768 . . . . 0.0 109.09 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -83.66 -13.7 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.507 -0.746 . . . . 0.0 109.562 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.53 22.53 36.73 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.1 mt -95.66 54.44 1.55 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.251 -1.146 . . . . 0.0 108.906 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.11 -30.17 57.16 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.7 mm -58.45 -50.75 77.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.017 -1.284 . . . . 0.0 109.776 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.411 HD13 HG23 ' A' ' 23' ' ' ILE . 18.1 mm -65.24 -43.6 95.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.199 -0.938 . . . . 0.0 109.125 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.27 -40.83 96.38 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.436 ' CE2' ' CD1' ' A' ' 29' ' ' LEU . 63.2 t80 -61.72 -48.95 78.41 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.144 -1.209 . . . . 0.0 110.517 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.666 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 74.9 t80 -68.63 -44.48 74.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.911 -1.118 . . . . 0.0 110.809 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.498 ' CD1' ' C ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -68.57 -36.55 78.92 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.121 -0.987 . . . . 0.0 110.337 -178.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -63.24 -41.3 99.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.563 -1.336 . . . . 0.0 109.035 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.436 ' CD1' ' CE2' ' A' ' 25' ' ' TYR . 82.5 mt -60.58 -41.49 94.78 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.17 -0.956 . . . . 0.0 108.607 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.665 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 72.7 t80 -65.52 -36.73 84.69 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.34 -0.85 . . . . 0.0 109.416 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.62 87.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.27 -0.894 . . . . 0.0 109.894 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.419 ' CG2' ' N ' ' A' ' 33' ' ' GLU . 0.7 OUTLIER -67.31 -39.75 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.887 -1.133 . . . . 0.0 108.815 179.487 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.419 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 86.4 tt0 -61.27 -35.37 77.11 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.913 -1.117 . . . . 0.0 108.316 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 25.2 tp -64.53 -41.54 96.3 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.483 -0.76 . . . . 0.0 109.502 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.19 -47.68 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.31 -0.869 . . . . 0.0 110.159 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.3 mp -63.24 -36.58 84.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.249 -0.907 . . . . 0.0 109.439 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.9 p -73.35 -21.4 60.55 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.575 ' OE2' ' NE ' ' A' ' 41' ' ' ARG . 84.4 tt0 -74.99 150.89 38.86 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.173 0.511 . . . . 0.0 109.724 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.21 150.2 14.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.345 -0.847 . . . . 0.0 109.252 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -58.49 135.51 57.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.32 -0.862 . . . . 0.0 110.391 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.575 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 68.8 mtt180 -122.67 170.8 9.67 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 57.0 p -57.38 168.76 0.72 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.249 -0.907 . . . . 0.0 109.941 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.473 ' O ' ' OG1' ' A' ' 46' ' ' THR . 94.6 mt-30 -56.45 -30.09 62.44 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.532 -0.73 . . . . 0.0 110.785 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -54.04 -40.33 67.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.785 -1.197 . . . . 0.0 109.306 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.436 ' SD ' ' CB ' ' A' ' 2' ' ' ALA . 7.8 tpt -65.33 -39.27 92.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.225 -0.922 . . . . 0.0 108.861 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 43' ' ' GLN . 55.1 p -66.53 -34.77 78.65 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.458 -0.776 . . . . 0.0 109.142 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.16 99.02 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.275 -0.89 . . . . 0.0 108.702 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.71 -37.42 87.29 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.403 -0.811 . . . . 0.0 109.163 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.76 -41.72 96.02 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 108.94 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.1 m -62.4 -40.01 95.11 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.309 -0.869 . . . . 0.0 109.351 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.3 -41.82 97.62 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.249 -0.907 . . . . 0.0 109.514 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.23 -39.59 93.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.117 -0.989 . . . . 0.0 109.333 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 40.4 tp -60.02 -40.98 91.17 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.194 -0.941 . . . . 0.0 109.009 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -61.75 -39.22 90.81 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.387 -0.821 . . . . 0.0 108.988 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.0 m -60.11 -41.65 93.03 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.585 -0.697 . . . . 0.0 109.924 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.428 HD13 HG21 ' A' ' 56' ' ' ILE . 93.1 mt -59.02 -52.93 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.16 -0.963 . . . . 0.0 109.269 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.418 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.8 mt-10 -63.77 -36.85 85.24 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.91 -33.38 74.59 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.542 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.62 -52.99 63.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.309 -0.87 . . . . 0.0 108.804 179.661 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.524 ' HZ3' ' CG2' ' A' ' 83' ' ' ILE . 27.3 mttt -58.66 -40.01 82.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.065 -1.022 . . . . 0.0 108.836 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -82.67 -1.45 51.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.473 -0.767 . . . . 0.0 110.156 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.1 tt0 -48.4 -35.18 12.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.107 -0.995 . . . . 0.0 110.126 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.405 ' CD1' ' SD ' ' A' ' 79' ' ' MET . 77.4 mt -68.56 -36.11 73.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 120.942 -1.099 . . . . 0.0 109.744 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.81 -5.41 24.36 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.63 -2.06 79.73 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -65.46 -46.72 78.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.112 -1.228 . . . . 0.0 108.654 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.1 t -68.03 -31.43 71.1 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.512 0.672 . . . . 0.0 109.213 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' ALA . 97.0 mt-10 -61.61 -29.05 69.79 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.588 -0.695 . . . . 0.0 109.94 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -44.84 -38.23 4.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.964 -1.085 . . . . 0.0 109.545 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -111.61 135.31 52.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.349 -0.844 . . . . 0.0 109.07 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 51.62 48.33 23.08 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.088 -1.007 . . . . 0.0 108.943 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.7 p -57.54 -33.93 68.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.223 -0.923 . . . . 0.0 110.133 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.44 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 90.4 m-20 -62.18 -43.98 97.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.161 -0.962 . . . . 0.0 109.933 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -66.01 -40.63 91.28 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.212 -0.93 . . . . 0.0 110.19 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.4 m -60.7 -45.6 93.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.112 -0.992 . . . . 0.0 109.99 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.88 -36.39 80.17 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.24 -0.912 . . . . 0.0 109.513 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.461 ' O ' ' OG1' ' A' ' 81' ' ' THR . 64.1 m170 -58.88 -45.22 90.72 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.369 -0.832 . . . . 0.0 110.004 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 64.6 t -66.59 -48.98 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.15 -0.969 . . . . 0.0 109.91 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.405 ' SD ' ' CD1' ' A' ' 63' ' ' ILE . 70.8 mtm -67.27 -46.2 74.36 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.982 -1.074 . . . . 0.0 110.248 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.4 ' HA ' ' HD1' ' A' ' 84' ' ' HIS . 2.9 m120 -69.36 -42.12 75.64 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 120.992 -1.067 . . . . 0.0 110.988 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 54.1 m -69.18 -49.25 58.31 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.081 -1.012 . . . . 0.0 111.891 -178.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.6 mt -72.59 -33.91 67.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.979 -1.076 . . . . 0.0 111.379 -178.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.524 ' CG2' ' HZ3' ' A' ' 60' ' ' LYS . 78.8 mt -79.24 -37.0 18.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 120.991 -1.068 . . . . 0.0 111.346 -178.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.4 ' HD1' ' HA ' ' A' ' 80' ' ' ASN . 77.2 m80 -87.78 -27.96 21.98 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.89 -1.131 . . . . 0.0 111.419 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -83.07 100.21 10.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.661 -1.274 . . . . 0.0 109.903 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -62.49 -41.31 98.73 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.465 -0.772 . . . . 0.0 110.811 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.47 -43.7 98.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.097 -1.002 . . . . 0.0 109.792 -179.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -61.9 -31.57 71.88 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.79 -44.26 90.51 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.42 -0.8 . . . . 0.0 110.056 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -65.17 -49.11 71.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.007 -1.058 . . . . 0.0 111.22 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.614 ' CD1' ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -65.08 -38.26 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.618 -1.301 . . . . 0.0 109.014 -178.707 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.614 ' N ' ' CD1' ' A' ' 91' ' ' ILE . 44.4 t80 -61.29 -45.47 94.35 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.666 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 70.1 mtm -70.3 -41.72 72.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.361 -0.837 . . . . 0.0 109.773 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.68 -40.02 90.61 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.144 -0.973 . . . . 0.0 109.373 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -63.65 -47.06 82.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.265 -0.897 . . . . 0.0 110.158 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -67.01 -40.94 87.4 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.183 -0.948 . . . . 0.0 110.041 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -61.89 -45.04 95.46 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.001 -1.062 . . . . 0.0 109.448 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 91.0 mtp -65.81 -41.69 91.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.101 -0.999 . . . . 0.0 109.421 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.493 ' HG ' ' N ' ' A' ' 100' ' ' LEU . 84.6 p -69.55 -34.31 74.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.369 -0.832 . . . . 0.0 109.512 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.493 ' N ' ' HG ' ' A' ' 99' ' ' SER . 34.9 tp -64.58 -42.63 95.48 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.151 -0.968 . . . . 0.0 109.58 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.662 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 83.1 t80 -64.97 -43.99 90.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.268 -0.895 . . . . 0.0 110.068 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -58.97 -44.7 91.58 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.225 -0.922 . . . . 0.0 109.91 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.33 -45.97 82.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.17 -0.956 . . . . 0.0 109.382 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.4 ' HZ1' ' HB2' ' A' ' 120' ' ' SER . 33.3 mttm -64.65 -36.81 85.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.24 -0.912 . . . . 0.0 109.188 179.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.4 tp -55.6 -48.89 74.13 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.379 -0.826 . . . . 0.0 109.042 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -61.4 -37.73 84.5 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.157 -0.964 . . . . 0.0 109.321 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.8 mt-30 -60.39 -39.89 88.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.224 -0.922 . . . . 0.0 109.653 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 72.0 mt -65.76 -38.38 88.94 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.953 -1.092 . . . . 0.0 109.167 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -77.59 -52.93 8.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.442 -0.787 . . . . 0.0 110.388 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -84.06 -22.92 31.07 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.383 -0.823 . . . . 0.0 110.461 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -104.82 155.78 17.12 Favored Glycine 0 N--CA 1.493 2.483 0 C-N-CA 119.909 -1.139 . . . . 0.0 110.315 -179.105 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -66.47 154.48 74.16 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.89 2.393 . . . . 0.0 111.895 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.555 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 18.4 m-90 -91.06 126.42 36.14 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.182 -0.949 . . . . 0.0 109.84 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -134.05 164.28 27.67 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.424 -0.797 . . . . 0.0 108.947 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -62.76 -32.61 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.125 -0.985 . . . . 0.0 109.207 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.407 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.7 mtm -60.09 -40.58 90.08 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 109.348 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.403 ' O ' ' OG ' ' A' ' 120' ' ' SER . 82.3 mt -63.96 -38.47 91.2 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.303 -0.873 . . . . 0.0 109.426 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -60.27 -40.94 92.13 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.211 -0.931 . . . . 0.0 109.038 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -62.19 -39.34 92.38 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.545 -0.722 . . . . 0.0 109.384 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 117' ' ' LEU . 85.7 p -64.28 -36.98 85.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.375 -0.828 . . . . 0.0 109.921 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.11 -40.45 90.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.152 -0.968 . . . . 0.0 109.538 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -61.81 -40.48 95.39 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.152 -0.967 . . . . 0.0 109.294 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.3 m -64.83 -42.13 95.19 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.275 -0.891 . . . . 0.0 109.589 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.5 m -60.94 -48.23 82.76 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.176 -0.953 . . . . 0.0 109.617 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.22 -36.64 69.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.028 -1.045 . . . . 0.0 108.816 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -59.97 -39.2 84.84 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.253 -0.904 . . . . 0.0 108.929 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.83 -43.63 98.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.263 -0.898 . . . . 0.0 109.287 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -67.02 -43.14 83.61 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -0.905 . . . . 0.0 109.987 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.0 m -65.7 -38.11 88.32 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.186 -0.946 . . . . 0.0 110.499 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.665 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 71.4 m -68.09 -49.66 59.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 0.0 110.7 -178.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 16.3 pt -74.03 -38.18 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 120.93 -1.106 . . . . 0.0 110.152 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 51.3 tp -60.26 -41.37 93.11 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.251 -0.906 . . . . 0.0 109.565 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -69.43 -49.3 56.39 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.312 -0.868 . . . . 0.0 110.714 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 43.7 tp -63.39 -46.84 84.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.053 -1.029 . . . . 0.0 110.825 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 7.1 m-90 -87.87 5.36 40.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.075 -1.015 . . . . 0.0 110.458 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.59 -43.17 35.74 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.045 -1.034 . . . . 0.0 109.706 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -69.27 -21.33 63.9 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.244 -0.91 . . . . 0.0 109.362 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -89.39 -5.2 57.64 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.365 -0.834 . . . . 0.0 110.527 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.7 mt -112.3 146.79 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.318 -0.864 . . . . 0.0 109.764 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.7 m -77.1 154.91 32.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.449 -0.782 . . . . 0.0 109.336 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.34 -40.79 83.1 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.156 -0.965 . . . . 0.0 109.878 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 26.0 m -72.1 -42.79 65.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.818 -1.176 . . . . 0.0 109.298 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.2 m -59.23 -40.11 84.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.201 -0.937 . . . . 0.0 108.605 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.495 ' O ' ' OE1' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -66.13 -38.3 87.81 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ASN . . . . . 0.411 ' N ' HG22 ' A' ' 144' ' ' THR . 24.5 t-20 -54.13 -45.39 71.93 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.393 -0.817 . . . . 0.0 109.543 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.3 m -64.35 -46.49 83.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.082 -1.011 . . . . 0.0 109.444 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.91 -39.67 93.88 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.282 -0.886 . . . . 0.0 109.668 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . 0.619 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.3 OUTLIER -62.47 -38.62 90.52 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.241 -0.912 . . . . 0.0 109.31 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -64.06 -38.16 90.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.188 -0.945 . . . . 0.0 109.545 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -60.92 -41.26 95.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.158 -0.964 . . . . 0.0 109.006 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 84.3 mt -61.59 -40.97 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.465 -0.772 . . . . 0.0 109.037 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -58.87 -40.84 85.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.392 -0.818 . . . . 0.0 108.939 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -59.05 -44.02 91.74 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.0 109.084 179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' CYS . . . . . 0.662 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 78.7 m -63.9 -50.32 69.2 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.365 -0.834 . . . . 0.0 108.816 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -61.86 -34.93 76.89 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.469 -0.769 . . . . 0.0 109.199 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 11.7 mt -58.08 -48.02 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.223 -0.923 . . . . 0.0 109.974 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.555 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 51.1 t80 -63.15 -41.07 99.2 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 32.7 tp -62.75 -42.67 99.79 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.757 -0.59 . . . . 0.0 109.761 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 20.8 m -64.46 -45.92 85.35 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.194 -0.941 . . . . 0.0 109.848 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -61.83 -42.81 99.49 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.159 -0.963 . . . . 0.0 109.04 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 27.7 tp -66.75 -35.17 79.48 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.342 -0.849 . . . . 0.0 109.035 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.86 -35.09 75.69 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.438 -0.789 . . . . 0.0 109.536 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -81.23 -8.49 59.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.195 -0.94 . . . . 0.0 108.921 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.79 -5.68 76.59 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -96.17 103.33 15.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.169 -1.195 . . . . 0.0 109.332 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ILE . . . . . 0.405 ' CD1' ' CZ ' ' A' ' 157' ' ' TYR . 7.0 tp -141.68 146.97 22.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.07 -1.019 . . . . 0.0 109.826 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.018 0 CA-C-O 118.016 -1.435 . . . . 0.0 109.621 179.76 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.84 153.38 95.27 Favored Pre-proline 0 N--CA 1.489 1.518 0 O-C-N 121.183 -0.948 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -60.23 143.57 99.51 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.612 2.208 . . . . 0.0 112.062 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.14 -33.67 74.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.263 -0.898 . . . . 0.0 109.405 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 70.4 mt -116.11 136.66 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.461 -0.774 . . . . 0.0 109.425 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -82.74 141.38 32.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.235 -0.916 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -148.34 156.68 42.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.274 -0.891 . . . . 0.0 109.669 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 57.54 41.43 25.84 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.524 -0.735 . . . . 0.0 109.697 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.17 143.62 55.18 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.175 -0.953 . . . . 0.0 109.399 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 13.0 p -132.33 144.01 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.303 -0.873 . . . . 0.0 109.612 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -115.29 160.98 19.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.482 -0.761 . . . . 0.0 109.448 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.85 -39.84 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.245 -0.909 . . . . 0.0 109.415 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -59.11 -33.63 71.08 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.9 -1.125 . . . . 0.0 109.232 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -59.21 -47.65 84.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.442 -0.786 . . . . 0.0 110.662 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -67.22 -38.92 86.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.103 -0.998 . . . . 0.0 109.934 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -57.32 -42.03 81.06 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.726 -1.234 . . . . 0.0 109.029 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.48 -38.3 90.52 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.301 -0.875 . . . . 0.0 108.877 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.81 -39.52 92.05 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.362 -0.836 . . . . 0.0 108.962 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -60.53 -44.24 96.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.0 109.309 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 25.6 tp -60.83 -39.58 89.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.249 -0.907 . . . . 0.0 109.153 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.43 96.74 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.341 -0.849 . . . . 0.0 109.602 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -64.7 -36.04 83.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.11 -0.994 . . . . 0.0 109.364 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . 0.418 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 76.9 ttt180 -61.39 -42.95 99.54 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.179 -0.95 . . . . 0.0 108.906 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 1.5 tp -63.44 -41.73 98.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.404 -0.81 . . . . 0.0 109.476 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 200' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' B' ' 204' ' ' GLY . 98.3 mtt180 -57.79 -36.54 72.32 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.269 -0.895 . . . . 0.0 109.116 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.21 88.07 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.117 -0.99 . . . . 0.0 108.432 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 7.1 tp -65.61 -38.0 88.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.387 -0.821 . . . . 0.0 108.9 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -87.53 -7.32 57.72 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.443 -0.785 . . . . 0.0 109.364 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 204' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' B' ' 200' ' ' ARG . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.0 mtm . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.837 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -59.18 -40.48 85.81 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.248 -0.908 . . . . 0.0 109.109 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -64.35 -34.85 79.11 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.143 -0.973 . . . . 0.0 108.987 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -58.96 -41.95 88.71 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.635 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.96 -39.53 94.35 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.75 -45.72 89.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.333 -0.855 . . . . 0.0 109.359 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -60.64 -39.13 87.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.161 -0.962 . . . . 0.0 109.011 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.574 ' CG1' HD13 ' A' ' 27' ' ' LEU . 47.4 t -61.77 -39.89 84.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.319 -0.863 . . . . 0.0 109.453 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.2 t -60.87 -41.84 90.29 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 O-C-N 121.13 -0.981 . . . . 0.0 108.485 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.56 -45.16 80.23 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.334 -0.854 . . . . 0.0 108.949 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.52 -34.4 77.83 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.332 -0.855 . . . . 0.0 108.694 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.96 93.48 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.152 -0.968 . . . . 0.0 108.815 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -62.29 -39.7 93.82 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.404 -0.81 . . . . 0.0 109.025 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -59.07 -43.32 91.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.222 -0.923 . . . . 0.0 109.515 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -63.48 -39.89 95.66 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.286 -0.884 . . . . 0.0 109.482 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -58.57 -38.62 78.28 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.076 -1.015 . . . . 0.0 108.672 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.55 -31.36 71.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.463 -0.773 . . . . 0.0 109.111 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -83.78 -14.77 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.433 -0.792 . . . . 0.0 109.755 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.82 24.29 33.12 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.9 mt -95.55 54.93 1.63 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.227 -1.161 . . . . 0.0 109.385 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.96 -28.34 48.04 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.42 ' N ' HD13 ' A' ' 22' ' ' ILE . 9.7 mm -58.52 -52.24 61.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.105 -1.232 . . . . 0.0 109.685 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.2 mm -64.1 -35.84 75.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.7 -47.08 92.18 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.812 ' CE2' HD11 ' A' ' 29' ' ' LEU . 65.9 t80 -61.55 -48.44 81.0 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.034 -1.274 . . . . 0.0 110.181 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.669 ' CD2' ' SD ' ' A' ' 93' ' ' MET . 65.1 t80 -64.73 -45.41 86.64 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.241 -0.912 . . . . 0.0 110.899 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.739 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -66.76 -36.4 82.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.954 -1.091 . . . . 0.0 110.141 -178.87 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -61.71 -39.79 92.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.72 -1.238 . . . . 0.0 108.769 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.812 HD11 ' CE2' ' A' ' 25' ' ' TYR . 93.5 mt -61.02 -39.06 88.33 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -65.82 -36.21 82.85 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.209 -0.932 . . . . 0.0 109.32 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.8 92.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.362 -0.836 . . . . 0.0 110.338 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.699 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -65.72 -41.77 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.793 -1.192 . . . . 0.0 109.038 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.68 -35.61 78.48 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.943 -1.098 . . . . 0.0 108.946 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.635 HD23 ' HB2' ' A' ' 5' ' ' ALA . 35.2 tp -64.7 -43.13 94.49 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 110.069 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.56 -48.18 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.066 -1.021 . . . . 0.0 110.064 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.491 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -64.53 -35.25 80.36 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.353 -0.842 . . . . 0.0 109.327 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.9 m -83.54 -0.12 48.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.234 -0.916 . . . . 0.0 109.211 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.837 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 84.7 tt0 -89.99 149.92 22.35 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.341 -0.849 . . . . 0.0 109.787 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -57.06 151.0 15.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.381 -0.824 . . . . 0.0 109.566 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -58.73 131.94 52.38 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.403 -0.81 . . . . 0.0 109.9 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.577 ' NH1' ' CB ' ' A' ' 2' ' ' ALA . 68.5 mtp180 -122.07 170.02 10.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.611 -0.68 . . . . 0.0 109.628 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.7 m -58.11 170.02 0.73 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.385 -0.822 . . . . 0.0 109.847 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.13 -28.0 56.23 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.486 -0.759 . . . . 0.0 110.552 -178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.29 -40.39 48.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.782 -1.199 . . . . 0.0 109.294 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.577 ' O ' ' SD ' ' A' ' 45' ' ' MET . 7.0 tmm? -63.36 -38.22 90.31 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.227 -0.921 . . . . 0.0 109.068 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.1 p -62.07 -36.41 81.57 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.24 -0.912 . . . . 0.0 109.133 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.47 ' O ' ' OG1' ' A' ' 50' ' ' THR . . . -63.96 -43.12 96.75 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.179 -0.951 . . . . 0.0 108.734 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.13 -35.56 81.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.328 -0.858 . . . . 0.0 109.061 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.9 -38.25 90.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.301 -0.875 . . . . 0.0 109.321 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 47' ' ' ALA . 70.0 p -65.39 -43.24 91.31 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.338 -0.851 . . . . 0.0 109.339 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.75 -40.2 91.58 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.64 -39.23 87.51 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.309 -0.869 . . . . 0.0 108.793 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.693 HD22 HD11 ' B' ' 195' ' ' LEU . 36.1 tp -59.8 -40.93 90.02 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.311 -0.868 . . . . 0.0 108.733 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -59.95 -39.39 85.42 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' PHE . 47.2 m -60.25 -39.93 88.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.696 -0.627 . . . . 0.0 109.566 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.651 HG21 HD22 ' B' ' 202' ' ' LEU . 31.6 mm -59.83 -55.16 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.119 -0.988 . . . . 0.0 109.233 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -63.43 -38.08 89.77 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.588 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.03 -31.98 71.16 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 55' ' ' THR . 82.3 t80 -59.22 -54.37 47.68 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.299 -0.875 . . . . 0.0 109.55 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.406 ' NZ ' HD11 ' B' ' 202' ' ' LEU . 48.5 mttp -62.33 -41.7 98.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.034 -1.041 . . . . 0.0 109.33 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -82.73 -3.07 55.98 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.318 -0.864 . . . . 0.0 110.071 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.72 -35.33 21.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.205 -0.934 . . . . 0.0 109.821 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.406 HG22 ' H ' ' A' ' 65' ' ' GLY . 85.1 mt -68.66 -37.55 77.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.152 -0.968 . . . . 0.0 109.796 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.84 -5.36 12.62 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.406 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 91.82 -5.52 79.41 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.64 -46.6 81.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.126 -1.22 . . . . 0.0 109.765 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -64.62 -34.77 79.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.207 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 69' ' ' ALA . 97.1 mt-10 -62.45 -28.65 69.95 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.451 -0.781 . . . . 0.0 109.904 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -39.26 -37.33 0.41 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.389 -0.82 . . . . 0.0 109.882 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -112.08 132.57 54.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.402 -0.811 . . . . 0.0 109.155 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 50.94 48.61 22.71 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.127 -0.983 . . . . 0.0 108.998 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 p -57.31 -36.54 71.23 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.251 -0.906 . . . . 0.0 110.127 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.583 ' O ' ' ND1' ' A' ' 77' ' ' HIS . 90.3 m-20 -62.11 -43.76 98.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.1 -1.0 . . . . 0.0 109.887 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -63.79 -41.66 97.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.327 -0.858 . . . . 0.0 109.95 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.5 t -59.51 -42.74 92.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.957 . . . . 0.0 110.115 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 76' ' ' LEU . 86.3 mt -65.12 -40.32 94.33 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.15 -0.969 . . . . 0.0 109.824 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.583 ' ND1' ' O ' ' A' ' 73' ' ' ASP . 61.9 m80 -62.59 -45.64 91.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.165 -0.959 . . . . 0.0 110.198 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.06 -49.81 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.158 -0.964 . . . . 0.0 110.11 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.422 ' HE2' ' HB3' ' A' ' 79' ' ' MET . 96.9 mmm -68.3 -46.66 69.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.245 -0.909 . . . . 0.0 110.81 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.591 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 57.3 t-20 -68.98 -45.56 70.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.016 -1.053 . . . . 0.0 111.631 -178.454 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 54.0 m -63.92 -47.7 79.48 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.091 -1.006 . . . . 0.0 111.963 -178.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.597 HD23 ' CG ' ' A' ' 88' ' ' LYS . 19.9 mt -72.72 -34.07 66.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.949 -1.094 . . . . 0.0 111.563 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 90.1 mt -79.32 -42.26 23.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 120.912 -1.117 . . . . 0.0 111.361 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.591 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 63.6 m80 -75.92 -42.48 48.76 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.053 -1.03 . . . . 0.0 111.367 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -81.63 107.4 14.36 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.801 -1.187 . . . . 0.0 110.019 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 87' ' ' GLU . 12.4 pt20 -62.34 -40.53 96.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.419 -0.801 . . . . 0.0 109.938 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 86' ' ' GLN . 97.6 mt-10 -61.39 -40.96 96.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.198 -0.938 . . . . 0.0 109.392 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.597 ' CG ' HD23 ' A' ' 82' ' ' LEU . 17.3 tptm -61.88 -33.01 73.42 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.82 -44.41 81.21 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.153 -0.967 . . . . 0.0 110.086 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -63.46 -49.1 74.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.118 -0.989 . . . . 0.0 111.26 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.105 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -60.58 -38.24 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.75 -1.219 . . . . 0.0 108.822 -178.803 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 1.105 ' N ' HD13 ' A' ' 91' ' ' ILE . 55.5 t80 -62.2 -40.25 95.46 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.669 ' SD ' ' CD2' ' A' ' 26' ' ' TYR . 87.9 mtp -67.1 -42.41 84.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.493 -0.754 . . . . 0.0 110.036 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 98' ' ' MET . 90.9 mt -60.99 -37.5 82.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.903 -1.123 . . . . 0.0 109.147 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -64.85 -49.46 70.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.162 -0.961 . . . . 0.0 109.981 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -80.04 -49.59 11.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.329 -0.857 . . . . 0.0 109.484 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.601 HG22 ' CZ ' ' A' ' 128' ' ' PHE . 15.0 m -55.85 -43.42 77.03 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.399 -0.813 . . . . 0.0 109.587 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.443 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 51.5 ttm -67.54 -46.3 73.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.002 -1.062 . . . . 0.0 109.42 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.1 p -66.2 -35.06 79.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.388 -0.82 . . . . 0.0 109.499 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.2 tp -63.8 -40.44 96.64 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.337 -0.852 . . . . 0.0 109.608 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.663 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 75.8 t80 -65.93 -48.34 71.73 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.311 -0.868 . . . . 0.0 110.343 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -62.0 -46.7 88.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.1 -1.0 . . . . 0.0 109.866 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.12 -36.28 83.51 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.238 -0.914 . . . . 0.0 109.129 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.532 ' CE ' ' OG ' ' A' ' 120' ' ' SER . 56.1 tttm -61.87 -41.69 98.16 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.329 -0.857 . . . . 0.0 109.326 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.602 HD11 ' CE2' ' A' ' 101' ' ' TYR . 92.7 mt -59.01 -43.46 91.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.121 -0.987 . . . . 0.0 108.686 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -60.36 -37.9 82.14 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.295 -0.878 . . . . 0.0 109.066 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.7 mt-30 -63.05 -39.71 95.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.377 -0.827 . . . . 0.0 109.577 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.924 HD13 ' CE2' ' A' ' 157' ' ' TYR . 67.6 mt -64.68 -37.91 89.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.116 -0.99 . . . . 0.0 109.028 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -78.11 -52.97 7.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.566 -0.709 . . . . 0.0 110.403 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -83.67 -22.97 31.94 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.462 -0.774 . . . . 0.0 110.439 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.594 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.46 155.25 17.95 Favored Glycine 0 N--CA 1.493 2.485 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.266 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.09 154.23 70.72 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.921 2.414 . . . . 0.0 112.01 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.589 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 11.7 m-90 -91.17 123.74 34.85 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.202 -0.937 . . . . 0.0 109.454 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 47.9 t0 -135.64 169.62 17.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.343 -0.848 . . . . 0.0 109.424 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.422 ' H ' HG13 ' A' ' 115' ' ' VAL . 3.2 m -61.01 -32.45 52.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.293 -0.879 . . . . 0.0 109.368 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.402 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.4 mtm -59.56 -36.71 76.72 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.272 -0.893 . . . . 0.0 109.218 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.9 mm? -64.16 -38.74 92.16 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.218 -0.926 . . . . 0.0 109.067 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.492 ' HE3' HD12 ' A' ' 161' ' ' LEU . 18.7 mttt -59.99 -43.41 95.16 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.338 -0.851 . . . . 0.0 109.23 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -61.92 -39.14 90.99 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.448 -0.783 . . . . 0.0 109.308 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.532 ' OG ' ' CE ' ' A' ' 104' ' ' LYS . 94.4 p -66.11 -35.51 80.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.394 -0.816 . . . . 0.0 109.754 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.495 HD21 ' HZ2' ' A' ' 104' ' ' LYS . 95.0 mt -63.96 -41.27 97.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 109.354 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.765 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 90.5 m95 -63.51 -41.37 98.53 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.147 -0.971 . . . . 0.0 109.188 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.7 m -67.68 -43.41 80.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.857 . . . . 0.0 109.893 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 88.6 m -57.25 -48.26 79.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.094 -1.004 . . . . 0.0 109.643 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.28 -37.88 75.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.21 -0.931 . . . . 0.0 109.09 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.24 -39.65 87.47 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.368 -0.833 . . . . 0.0 109.38 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.84 -44.41 96.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.214 -0.929 . . . . 0.0 109.694 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.601 ' CZ ' HG22 ' A' ' 97' ' ' THR . 76.7 m-85 -71.68 -42.43 67.46 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.256 -0.903 . . . . 0.0 109.829 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.9 p -65.7 -34.3 77.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.238 -0.914 . . . . 0.0 109.879 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.447 ' SG ' ' OH ' ' A' ' 26' ' ' TYR . 1.6 t -68.77 -49.8 55.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.113 -0.992 . . . . 0.0 109.869 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 83.9 mt -63.47 -50.09 79.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 121.232 -0.918 . . . . 0.0 109.913 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.793 HD13 HD23 ' A' ' 147' ' ' LEU . 55.7 tp -62.23 -41.11 98.12 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.358 -0.839 . . . . 0.0 110.258 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -60.42 -49.52 77.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.185 -0.947 . . . . 0.0 110.456 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.8 tp -67.79 -44.05 78.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.061 -1.024 . . . . 0.0 110.135 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -87.07 3.45 46.07 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.268 -0.895 . . . . 0.0 110.598 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.635 ' HZ3' ' CB ' ' A' ' 144' ' ' THR . 11.7 tptt -51.3 -38.29 52.06 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.057 -1.027 . . . . 0.0 109.999 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -64.65 -24.32 67.54 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 109.525 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -91.61 -3.2 56.66 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.266 -0.896 . . . . 0.0 110.571 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.2 mm -103.87 144.61 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.952 -1.092 . . . . 0.0 109.466 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 48.8 m -77.18 155.12 32.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.334 -0.853 . . . . 0.0 108.962 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.37 -41.92 81.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.055 -1.028 . . . . 0.0 109.84 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 27.1 m -71.78 -42.87 66.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.961 -1.087 . . . . 0.0 109.263 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 29.2 t -58.85 -38.91 79.79 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.148 -0.97 . . . . 0.0 108.477 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.635 ' CB ' ' HZ3' ' A' ' 136' ' ' LYS . 0.4 OUTLIER -64.74 -38.43 90.96 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.863 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -55.97 -45.55 78.88 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.508 -0.745 . . . . 0.0 109.726 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.5 m -63.22 -46.34 87.43 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.112 -0.992 . . . . 0.0 109.537 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.793 HD23 HD13 ' A' ' 132' ' ' LEU . 58.9 tp -65.16 -40.84 94.9 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.31 -0.869 . . . . 0.0 109.528 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.74 HE22 HD21 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -61.61 -38.3 87.08 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.238 -0.914 . . . . 0.0 109.388 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -62.37 -39.51 93.42 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.977 -1.077 . . . . 0.0 108.873 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -59.52 -39.72 84.82 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.25 -0.906 . . . . 0.0 108.816 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 33.4 mm -61.78 -40.22 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.328 -0.858 . . . . 0.0 108.922 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 156' ' ' ILE . 22.4 tttt -57.96 -42.1 84.3 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.379 -0.825 . . . . 0.0 108.829 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.504 ' HA ' HD12 ' A' ' 156' ' ' ILE . 70.7 t80 -59.57 -44.85 93.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -0.882 . . . . 0.0 108.928 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' CYS . . . . . 0.663 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 36.6 m -65.36 -48.58 72.45 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.09 -33.98 75.44 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 153' ' ' TYR . 7.7 mt -57.78 -47.61 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 O-C-N 121.269 -0.894 . . . . 0.0 109.517 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.924 ' CE2' HD13 ' A' ' 108' ' ' LEU . 67.8 t80 -62.86 -39.56 94.79 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.765 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 41.2 tp -61.71 -42.28 98.73 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.627 -0.671 . . . . 0.0 109.769 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 86.2 p -66.46 -39.73 89.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.223 -0.923 . . . . 0.0 109.978 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.85 -38.65 89.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.133 -0.979 . . . . 0.0 109.226 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.492 HD12 ' HE3' ' A' ' 118' ' ' LYS . 3.4 mm? -66.5 -35.64 80.75 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.285 -0.884 . . . . 0.0 108.987 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.02 86.84 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.324 -0.86 . . . . 0.0 109.258 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -81.93 -12.34 58.45 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.293 -0.879 . . . . 0.0 109.382 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 89.02 -1.07 82.75 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -95.05 150.19 20.44 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.232 -1.158 . . . . 0.0 109.728 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 37.8 mm . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.493 -0.754 . . . . 0.0 109.456 179.614 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.71 -41.45 95.29 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.336 -0.853 . . . . 0.0 109.093 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 39.9 tttp -62.02 -44.51 96.56 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.331 -0.856 . . . . 0.0 109.124 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 195' ' ' LEU . . . . . 0.693 HD11 HD22 ' A' ' 53' ' ' LEU . 11.6 tp -61.43 -41.46 97.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.285 -0.885 . . . . 0.0 108.961 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.1 -35.96 82.8 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.395 -0.815 . . . . 0.0 109.39 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -64.72 -36.33 83.93 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.133 -0.979 . . . . 0.0 109.419 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -65.22 -43.48 91.34 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.096 -1.003 . . . . 0.0 109.243 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 199' ' ' LEU . . . . . 0.699 HD22 HG21 ' A' ' 32' ' ' VAL . 5.9 tp -63.37 -47.32 82.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.189 -0.944 . . . . 0.0 109.511 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -60.5 -37.76 82.14 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.175 -0.953 . . . . 0.0 109.022 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.01 79.48 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 202' ' ' LEU . . . . . 0.651 HD22 HG21 ' A' ' 56' ' ' ILE . 18.8 tp -60.36 -38.56 84.25 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 203' ' ' ARG . . . . . 0.594 ' NE ' HD22 ' A' ' 29' ' ' LEU . 95.5 mtt180 -87.39 -10.61 51.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.333 -0.854 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 CA-C-O 117.993 -1.448 . . . . 0.0 109.566 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.41 ' H2 ' ' HB2' ' A' ' 4' ' ' ASN . 64.7 mtt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.59 ' HB1' ' CE ' ' A' ' 45' ' ' MET . . . -59.3 -39.04 81.78 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.145 -0.972 . . . . 0.0 109.048 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -63.55 -38.74 92.27 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.258 -0.901 . . . . 0.0 108.845 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.41 ' HB2' ' H2 ' ' A' ' 1' ' ' MET . 2.9 m120 -57.66 -39.61 77.44 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.713 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.51 -39.67 95.04 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.83 95.08 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.395 -0.816 . . . . 0.0 109.201 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.651 ' NH1' ' NH2' ' A' ' 119' ' ' ARG . 14.5 tpp85 -60.4 -39.89 88.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.253 -0.904 . . . . 0.0 109.019 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.488 ' CG1' HD13 ' A' ' 27' ' ' LEU . 54.0 t -62.0 -37.94 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.336 -0.853 . . . . 0.0 109.058 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.65 -40.71 85.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.97 81.45 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.391 -0.818 . . . . 0.0 108.936 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -35.45 80.87 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -59.44 -42.03 90.97 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.206 -0.934 . . . . 0.0 108.538 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -60.43 -38.51 84.32 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -58.25 -41.08 83.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.373 -0.829 . . . . 0.0 109.108 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -62.03 -41.46 98.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.0 109.482 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -58.61 -39.16 79.63 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.129 -0.982 . . . . 0.0 109.06 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -61.51 -32.74 72.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.427 -0.796 . . . . 0.0 109.314 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.585 HG12 HD13 ' A' ' 20' ' ' LEU . 13.0 t -84.29 -14.31 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.0 109.545 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.2 8.32 68.81 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.585 HD13 HG12 ' A' ' 18' ' ' VAL . 11.0 mp -97.66 54.67 1.18 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.384 -1.068 . . . . 0.0 109.193 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.84 -22.83 35.44 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.1 mm -58.11 -48.8 83.51 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.073 -1.251 . . . . 0.0 109.831 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.428 HD11 ' CE2' ' A' ' 92' ' ' TYR . 23.1 mm -63.43 -42.57 96.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.042 -1.036 . . . . 0.0 108.947 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.54 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.63 -38.52 93.86 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.857 ' CE2' HD11 ' A' ' 29' ' ' LEU . 71.2 t80 -62.97 -47.6 82.45 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.023 -1.28 . . . . 0.0 110.641 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -59.93 -46.73 88.44 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.126 -0.984 . . . . 0.0 111.267 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.54 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.8 pp -66.71 -33.78 76.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.677 -1.264 . . . . 0.0 110.177 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.477 ' N ' HD12 ' A' ' 27' ' ' LEU . 91.2 mt-30 -60.19 -40.68 90.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.667 -1.271 . . . . 0.0 108.421 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.857 HD11 ' CE2' ' A' ' 25' ' ' TYR . 87.0 mt -59.95 -42.28 93.71 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.66 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 89.5 t80 -64.47 -35.69 81.76 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.616 -0.678 . . . . 0.0 109.266 178.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.94 -45.28 86.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.335 -0.853 . . . . 0.0 109.901 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.848 ' CG2' HD22 ' B' ' 199' ' ' LEU . 0.7 OUTLIER -67.08 -40.23 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 120.881 -1.137 . . . . 0.0 108.762 179.504 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 97.0 mt-10 -61.78 -35.51 78.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.948 -1.095 . . . . 0.0 108.6 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.713 HD23 ' HB2' ' A' ' 5' ' ' ALA . 31.9 tp -64.48 -42.0 96.14 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.426 -0.796 . . . . 0.0 109.832 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.469 HD11 HD12 ' A' ' 52' ' ' LEU . 92.4 mt -61.44 -48.49 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.239 -0.913 . . . . 0.0 110.088 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 36' ' ' LEU . 7.2 mp -65.19 -34.58 78.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.319 -0.863 . . . . 0.0 109.702 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.8 m -83.28 -0.21 48.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 0.0 109.354 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.58 ' OE2' ' N ' ' A' ' 2' ' ' ALA . 83.8 tt0 -96.85 150.45 20.71 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.325 -0.86 . . . . 0.0 109.701 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.7 149.45 17.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.254 -0.904 . . . . 0.0 109.526 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -58.93 138.82 57.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.359 -0.838 . . . . 0.0 110.272 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.537 ' HE ' ' CD ' ' A' ' 38' ' ' GLU . 94.5 mtt-85 -122.71 170.79 9.69 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -57.46 166.4 1.26 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.293 -0.88 . . . . 0.0 110.036 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.8 -30.97 64.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.555 -0.715 . . . . 0.0 110.904 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.455 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 55.1 mp0 -54.79 -40.09 69.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.81 -1.181 . . . . 0.0 109.629 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.59 ' CE ' ' HB1' ' A' ' 2' ' ' ALA . 5.2 tpt -64.68 -37.48 87.73 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.041 -1.037 . . . . 0.0 108.898 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.7 m -59.78 -40.84 89.62 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.523 -0.735 . . . . 0.0 109.383 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.91 -44.21 96.71 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.2 -0.938 . . . . 0.0 108.92 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.524 HD23 ' CE ' ' A' ' 45' ' ' MET . 34.2 tp -61.16 -39.67 90.98 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.293 -0.879 . . . . 0.0 108.973 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.78 90.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.366 -0.834 . . . . 0.0 109.06 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.7 m -60.76 -40.8 93.84 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.258 -0.901 . . . . 0.0 108.859 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.99 -39.52 89.97 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.368 -0.832 . . . . 0.0 109.166 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.469 HD12 HD11 ' A' ' 35' ' ' ILE . 73.5 mt -61.74 -40.66 95.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.15 -0.969 . . . . 0.0 109.14 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.0 HD21 ' HE ' ' B' ' 198' ' ' ARG . 42.3 tp -59.94 -40.34 88.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.129 -0.982 . . . . 0.0 108.662 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -60.12 -38.45 83.05 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 59' ' ' PHE . 32.4 m -60.12 -42.56 95.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.685 -0.635 . . . . 0.0 109.427 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.527 HD12 HD12 ' A' ' 53' ' ' LEU . 90.7 mt -57.87 -52.28 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.149 -0.969 . . . . 0.0 108.714 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.21 -36.35 81.67 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.39 -32.88 74.54 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' THR . 77.4 t80 -58.58 -51.69 68.83 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.263 -0.898 . . . . 0.0 108.804 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.419 ' NZ ' HD11 ' B' ' 202' ' ' LEU . 98.5 mttt -61.51 -39.24 90.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.222 -0.923 . . . . 0.0 108.909 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -82.3 -1.6 50.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.509 -0.744 . . . . 0.0 109.66 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.6 tt0 -48.43 -33.54 9.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.311 -0.868 . . . . 0.0 110.111 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.964 HD11 ' SD ' ' A' ' 79' ' ' MET . 85.9 mt -67.72 -41.04 84.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.015 -1.053 . . . . 0.0 109.596 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.49 -5.54 10.35 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.209 -1.557 . . . . 0.0 109.209 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.522 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 91.2 -5.24 81.27 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -66.56 -46.6 75.5 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.091 -1.241 . . . . 0.0 108.76 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.415 ' HB3' HG23 ' A' ' 63' ' ' ILE . 9.1 t -66.99 -30.88 71.11 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.521 0.677 . . . . 0.0 109.179 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.25 -28.68 69.34 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.469 -0.77 . . . . 0.0 109.886 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.97 -36.34 72.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.993 -1.067 . . . . 0.0 110.098 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -122.79 139.38 54.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.274 -0.891 . . . . 0.0 109.867 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 48.55 43.78 20.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.275 -0.891 . . . . 0.0 109.165 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -42.08 99.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.353 -0.842 . . . . 0.0 110.462 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.587 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 91.0 m-20 -60.99 -45.04 96.4 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.046 -1.034 . . . . 0.0 109.806 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -69.82 -44.42 70.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.302 -0.874 . . . . 0.0 110.513 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.8 m -61.64 -45.3 94.63 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.089 -1.007 . . . . 0.0 110.237 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 99.2 mt -68.3 -38.54 81.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.982 . . . . 0.0 110.109 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.587 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 66.6 m170 -58.07 -45.34 87.27 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.165 -0.959 . . . . 0.0 110.324 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.77 -49.55 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.049 -1.032 . . . . 0.0 110.217 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.964 ' SD ' HD11 ' A' ' 63' ' ' ILE . 88.8 mtp -68.07 -46.14 71.87 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.18 -0.95 . . . . 0.0 110.894 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.472 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 35.3 m-20 -69.13 -44.16 72.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.954 -1.091 . . . . 0.0 110.908 -178.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 88.9 m -61.86 -47.44 85.01 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.036 -1.04 . . . . 0.0 111.394 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.1 mt -73.47 -34.66 65.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.904 -1.122 . . . . 0.0 110.985 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.7 mt -80.33 -42.77 21.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 120.99 -1.069 . . . . 0.0 111.405 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 74.8 m80 -71.35 -47.99 53.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.021 -1.049 . . . . 0.0 111.14 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -79.47 111.18 15.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.908 -1.12 . . . . 0.0 110.119 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -61.79 -36.48 81.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.442 -0.786 . . . . 0.0 109.848 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.524 ' OE2' ' CH2' ' A' ' 135' ' ' TRP . 76.7 mm-40 -59.66 -41.21 90.08 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.2 -0.937 . . . . 0.0 109.624 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -62.53 -34.46 76.97 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.173 -0.954 . . . . 0.0 108.651 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.2 -41.94 69.64 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.271 -0.893 . . . . 0.0 109.467 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -62.42 -48.38 79.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.184 -0.947 . . . . 0.0 109.764 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.814 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -70.19 -45.09 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.304 -0.873 . . . . 0.0 109.29 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.814 ' N ' HD12 ' A' ' 91' ' ' ILE . 57.8 t80 -61.61 -46.02 91.62 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.1 -1.0 . . . . 0.0 108.483 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.8 mmm -65.56 -40.62 93.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.308 -0.87 . . . . 0.0 109.216 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.2 tp -63.93 -41.56 97.6 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.356 -0.84 . . . . 0.0 109.705 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -62.15 -43.69 98.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.353 -0.842 . . . . 0.0 109.821 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.645 ' CE2' HD11 ' A' ' 100' ' ' LEU . 65.9 t80 -64.16 -44.83 90.89 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.296 -0.878 . . . . 0.0 109.641 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 45.8 p -61.53 -41.87 97.98 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.284 -0.885 . . . . 0.0 109.877 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.1 ttm -59.63 -40.28 87.12 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.255 -0.903 . . . . 0.0 109.003 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 m -61.76 -40.65 95.89 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.454 -0.778 . . . . 0.0 109.295 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.645 HD11 ' CE2' ' A' ' 96' ' ' PHE . 78.2 mt -65.49 -38.51 89.96 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.246 -0.909 . . . . 0.0 109.579 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.813 ' CE2' HD11 ' A' ' 105' ' ' LEU . 82.5 t80 -58.87 -48.07 82.68 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.168 -0.958 . . . . 0.0 110.111 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -65.21 -44.73 87.4 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.075 -1.016 . . . . 0.0 110.46 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.37 -41.97 98.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.233 -0.917 . . . . 0.0 110.611 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -63.22 -42.11 99.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.039 -1.038 . . . . 0.0 110.24 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.813 HD11 ' CE2' ' A' ' 101' ' ' TYR . 93.2 mt -57.14 -46.48 82.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.973 -1.079 . . . . 0.0 109.227 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -60.94 -40.11 92.06 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.111 -0.993 . . . . 0.0 109.618 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.593 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.0 mt-30 -64.28 -39.08 93.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.239 -0.913 . . . . 0.0 110.05 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.432 HD13 ' CE2' ' A' ' 157' ' ' TYR . 91.4 mt -64.22 -37.46 87.56 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.86 -1.15 . . . . 0.0 109.816 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -77.07 -53.57 7.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.277 -0.889 . . . . 0.0 110.874 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -98.65 -22.8 15.74 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.222 -0.924 . . . . 0.0 110.87 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -90.04 152.13 22.06 Favored Glycine 0 N--CA 1.492 2.405 0 C-N-CA 119.581 -1.295 . . . . 0.0 110.324 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -71.22 154.47 61.71 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.809 2.339 . . . . 0.0 111.999 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.558 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 15.8 m-90 -89.66 124.09 34.28 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.159 -0.963 . . . . 0.0 109.476 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.0 m-20 -134.62 165.12 25.97 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.29 -0.881 . . . . 0.0 109.587 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.413 ' H ' HG13 ' A' ' 115' ' ' VAL . 2.9 m -64.03 -31.3 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.375 -0.828 . . . . 0.0 109.237 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 70.0 mtm -58.87 -37.82 77.41 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.393 -0.817 . . . . 0.0 109.516 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.2 -38.62 89.86 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.112 -0.993 . . . . 0.0 109.042 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.41 -40.86 95.95 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.311 -0.868 . . . . 0.0 109.075 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.651 ' NH2' ' NH1' ' A' ' 7' ' ' ARG . 41.5 mtp180 -61.69 -39.69 92.33 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.427 -0.795 . . . . 0.0 109.432 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 83.4 p -64.49 -35.23 80.28 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.313 -0.867 . . . . 0.0 109.522 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.415 HD12 HD13 ' A' ' 158' ' ' LEU . 96.3 mt -65.93 -41.61 91.12 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.307 -0.87 . . . . 0.0 109.504 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -60.98 -41.77 97.05 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.081 -1.012 . . . . 0.0 109.196 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.7 m -68.65 -44.02 75.0 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.237 -0.915 . . . . 0.0 109.684 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 79.2 m -59.93 -47.24 86.58 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.216 -0.928 . . . . 0.0 109.87 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.57 -37.37 74.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 121.149 -0.969 . . . . 0.0 109.229 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.55 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.2 m-20 -61.09 -40.75 94.9 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.349 -0.844 . . . . 0.0 109.585 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.71 -42.0 99.43 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.201 -0.937 . . . . 0.0 109.478 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -72.18 -43.18 64.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.299 -0.875 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.0 p -69.36 -37.62 77.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.186 -0.946 . . . . 0.0 110.233 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.66 ' SG ' ' CD1' ' A' ' 30' ' ' TYR . 76.0 m -68.87 -50.35 50.53 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.051 -1.031 . . . . 0.0 110.026 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 79.9 mt -69.05 -48.75 67.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.37 0 O-C-N 121.221 -0.924 . . . . 0.0 109.799 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.667 HD21 HE22 ' A' ' 148' ' ' GLN . 43.3 tp -60.67 -41.24 94.68 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.378 -0.826 . . . . 0.0 110.005 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -60.33 -49.14 78.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.213 -0.93 . . . . 0.0 110.148 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.7 tp -63.73 -43.16 97.32 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.079 -1.013 . . . . 0.0 109.808 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.524 ' CH2' ' OE2' ' A' ' 87' ' ' GLU . 97.3 m95 -86.87 -3.1 59.03 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.252 -0.905 . . . . 0.0 110.307 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.4 OUTLIER -51.97 -34.86 44.22 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.109 -0.994 . . . . 0.0 110.217 -179.247 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.19 -27.11 68.74 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.065 -1.022 . . . . 0.0 109.083 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -90.83 -0.97 57.87 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.376 -0.827 . . . . 0.0 110.132 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.7 mm -104.12 142.71 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.172 -0.955 . . . . 0.0 109.56 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 54.4 p -77.8 155.42 31.12 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.27 -0.893 . . . . 0.0 108.867 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -54.4 -44.34 72.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.104 -0.997 . . . . 0.0 109.789 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.0 m -70.24 -43.12 71.23 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.97 -1.081 . . . . 0.0 109.388 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 50.1 m -58.74 -38.27 78.03 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.13 -0.981 . . . . 0.0 108.506 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.73 -38.61 91.58 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -55.74 -42.72 75.8 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.439 -0.788 . . . . 0.0 109.459 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 86.0 p -65.16 -45.46 84.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.283 -0.886 . . . . 0.0 109.462 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 49.9 mt -67.07 -41.42 86.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.221 -0.925 . . . . 0.0 108.935 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.667 HE22 HD21 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -64.62 -34.89 79.34 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.016 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -58.85 -44.8 91.09 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.395 -0.816 . . . . 0.0 108.844 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -60.21 -41.46 93.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.173 -0.954 . . . . 0.0 108.663 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 148' ' ' GLN . 88.1 mt -60.7 -41.84 89.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.531 -0.731 . . . . 0.0 109.034 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -59.14 -38.04 78.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.848 . . . . 0.0 109.256 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.39 -43.83 98.2 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.151 -0.968 . . . . 0.0 109.385 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 74.7 m -66.43 -50.98 61.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.137 -0.977 . . . . 0.0 109.108 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -64.38 -37.21 86.7 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.359 -0.838 . . . . 0.0 109.63 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 12.2 mt -58.3 -47.5 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.236 -0.915 . . . . 0.0 110.091 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.558 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 69.1 t80 -62.84 -40.63 98.03 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.415 HD13 HD12 ' A' ' 121' ' ' LEU . 47.5 tp -59.96 -41.16 91.3 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.717 -0.615 . . . . 0.0 109.634 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.3 t -63.27 -42.31 99.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.231 -0.918 . . . . 0.0 109.98 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.4 -39.59 91.3 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.121 -0.987 . . . . 0.0 109.487 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.5 HD11 ' CE2' ' A' ' 157' ' ' TYR . 9.6 mp -66.26 -35.66 80.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.077 -1.014 . . . . 0.0 109.148 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.42 81.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.276 -0.89 . . . . 0.0 109.097 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -81.42 -12.59 58.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.282 -0.886 . . . . 0.0 109.114 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.56 -2.29 70.18 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -94.81 140.63 29.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.266 -1.138 . . . . 0.0 109.646 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 37.8 mm . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.495 -0.753 . . . . 0.0 109.39 179.618 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.39 -41.13 93.18 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.246 -0.909 . . . . 0.0 108.943 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -62.55 -40.03 95.5 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.0 109.267 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 195' ' ' LEU . . . . . 0.44 ' CD1' HD22 ' A' ' 53' ' ' LEU . 39.4 tp -60.11 -39.52 86.47 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.381 -0.824 . . . . 0.0 109.374 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.86 89.64 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.187 -0.946 . . . . 0.0 109.138 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.15 -35.35 80.82 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.285 -0.885 . . . . 0.0 109.199 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 198' ' ' ARG . . . . . 1.0 ' HE ' HD21 ' A' ' 53' ' ' LEU . 68.0 mtp85 -62.28 -41.8 98.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.875 . . . . 0.0 109.341 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 199' ' ' LEU . . . . . 0.848 HD22 ' CG2' ' A' ' 32' ' ' VAL . 35.8 tp -62.93 -45.18 93.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.205 -0.934 . . . . 0.0 109.129 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -64.59 -39.7 94.19 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.506 -0.746 . . . . 0.0 109.555 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -68.22 -42.16 80.2 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.231 -0.918 . . . . 0.0 109.239 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 202' ' ' LEU . . . . . 0.491 ' CD2' HG21 ' A' ' 56' ' ' ILE . 17.7 tp -62.32 -37.51 85.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.284 -0.885 . . . . 0.0 109.228 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -87.85 -7.91 56.58 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.334 -0.854 . . . . 0.0 109.516 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 CA-C-O 117.942 -1.477 . . . . 0.0 109.571 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.42 88.85 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.163 -0.961 . . . . 0.0 109.078 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -63.6 -37.41 87.21 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.237 -0.915 . . . . 0.0 109.024 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -56.24 -42.65 77.67 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.782 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.9 -39.98 95.44 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.57 97.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.341 -0.849 . . . . 0.0 109.202 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.575 ' O ' HG23 ' A' ' 11' ' ' THR . 10.7 tpt180 -60.33 -38.2 83.01 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.191 -0.943 . . . . 0.0 109.066 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.69 -39.8 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.343 -0.848 . . . . 0.0 109.053 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.48 -38.87 81.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.119 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.21 95.2 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.202 -0.999 . . . . 0.0 108.562 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 7' ' ' ARG . 3.7 p -68.18 -34.18 75.81 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.67 -43.51 89.89 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.386 -0.821 . . . . 0.0 108.875 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -62.58 -43.35 99.03 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -61.24 -40.48 94.22 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.353 -0.842 . . . . 0.0 109.126 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.7 -41.25 97.34 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.337 -0.852 . . . . 0.0 109.031 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.486 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 21.5 t70 -58.83 -38.38 78.54 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.355 -0.841 . . . . 0.0 108.828 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -59.87 -30.36 68.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.406 -0.809 . . . . 0.0 108.826 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 18' ' ' VAL . 58.9 t -83.85 -9.27 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.438 -0.789 . . . . 0.0 109.491 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.54 16.56 56.71 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.551 HD13 ' CZ ' ' A' ' 96' ' ' PHE . 67.4 mt -95.85 44.95 1.08 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.306 -1.114 . . . . 0.0 109.151 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.34 -34.66 54.44 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.021 -1.231 . . . . 0.0 110.021 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 mm -59.77 -48.72 86.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.026 -1.279 . . . . 0.0 109.394 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.7 mm -63.61 -43.36 98.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.307 -0.87 . . . . 0.0 108.895 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.565 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.9 -38.43 94.08 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.751 -1.339 . . . . 0.0 109.751 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.846 ' CE2' HD11 ' A' ' 29' ' ' LEU . 71.2 t80 -63.21 -47.54 82.09 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.043 -1.269 . . . . 0.0 110.713 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 44.6 t80 -60.84 -46.07 92.01 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.119 -0.988 . . . . 0.0 111.111 -178.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.565 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.9 pp -66.32 -34.06 77.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.665 -1.272 . . . . 0.0 110.131 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.494 ' N ' HD12 ' A' ' 27' ' ' LEU . 92.3 mt-30 -59.93 -39.99 87.38 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.69 -1.256 . . . . 0.0 108.071 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.846 HD11 ' CE2' ' A' ' 25' ' ' TYR . 87.6 mt -61.83 -38.15 87.1 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.486 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 85.6 t80 -66.89 -35.76 80.74 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.452 -0.78 . . . . 0.0 109.235 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.69 92.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.315 -0.865 . . . . 0.0 110.211 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.428 HG21 HD22 ' B' ' 199' ' ' LEU . 1.9 p -65.75 -42.4 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.841 -1.162 . . . . 0.0 108.915 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.67 -34.83 76.42 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.894 -1.129 . . . . 0.0 108.823 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.782 HD23 ' HB2' ' A' ' 5' ' ' ALA . 24.2 tp -64.56 -45.1 88.5 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.305 -0.872 . . . . 0.0 109.977 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.59 -46.47 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.102 -0.999 . . . . 0.0 110.356 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.1 mp -62.95 -32.52 73.86 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.361 -0.837 . . . . 0.0 109.855 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.9 m -71.25 -26.37 62.87 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.153 -0.967 . . . . 0.0 109.699 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -67.81 149.94 49.25 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.166 -0.959 . . . . 0.0 110.037 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.06 151.81 14.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.405 -0.81 . . . . 0.0 108.997 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -56.45 137.16 53.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.174 -0.954 . . . . 0.0 109.506 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -122.38 170.23 10.16 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.408 0.623 . . . . 0.0 109.8 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.7 p -58.24 171.23 0.59 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.387 -0.821 . . . . 0.0 109.896 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.35 -27.3 55.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.545 -0.722 . . . . 0.0 110.774 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.09 -41.61 48.57 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.898 -1.126 . . . . 0.0 109.252 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.566 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -63.57 -37.62 87.99 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.212 -0.93 . . . . 0.0 108.649 179.024 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.0 m -59.38 -40.14 85.59 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.38 -0.825 . . . . 0.0 109.103 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.57 98.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.3 -0.875 . . . . 0.0 108.648 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.76 -36.28 83.37 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.352 -0.842 . . . . 0.0 109.048 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.57 97.23 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.301 -0.874 . . . . 0.0 108.857 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.2 m -61.11 -42.85 99.28 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.32 -0.863 . . . . 0.0 108.962 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.4 -40.06 95.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.255 -0.903 . . . . 0.0 108.979 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.1 tp -59.14 -41.62 88.73 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.21 -0.931 . . . . 0.0 109.216 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.728 HD22 HD11 ' B' ' 195' ' ' LEU . 37.2 tp -60.59 -40.72 92.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.28 -0.888 . . . . 0.0 108.753 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -60.25 -39.68 87.6 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.46 -0.775 . . . . 0.0 108.932 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.1 m -60.38 -42.3 95.56 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.633 -0.667 . . . . 0.0 109.7 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.62 -52.58 58.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.104 -0.998 . . . . 0.0 109.024 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.63 -36.64 84.48 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.62 -33.47 75.73 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -59.35 -54.2 49.49 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.252 -0.905 . . . . 0.0 109.313 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -62.28 -42.84 99.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.171 -0.955 . . . . 0.0 109.388 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -82.97 -2.35 54.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.371 -0.83 . . . . 0.0 110.132 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.596 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.39 -35.49 19.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.115 -0.99 . . . . 0.0 110.008 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.633 HD11 ' SD ' ' A' ' 79' ' ' MET . 86.4 mt -68.74 -40.18 81.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.106 -0.996 . . . . 0.0 109.663 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.24 -5.9 83.09 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.105 -1.598 . . . . 0.0 109.105 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.68 -1.68 85.63 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.69 -46.97 80.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.033 -1.275 . . . . 0.0 109.748 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.3 m -67.57 -33.19 74.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.236 -0.915 . . . . 0.0 108.997 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.617 ' OE2' HD21 ' A' ' 76' ' ' LEU . 96.9 mt-10 -61.21 -28.73 69.36 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.565 -0.709 . . . . 0.0 109.933 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -37.15 -35.0 0.09 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.497 -0.752 . . . . 0.0 109.953 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' GLU . 77.8 mm-40 -116.0 132.19 56.72 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.395 -0.815 . . . . 0.0 109.11 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 51.87 47.74 24.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.099 -1.0 . . . . 0.0 109.197 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -58.84 -35.3 72.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.247 -0.908 . . . . 0.0 110.183 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.481 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 91.1 m-20 -62.15 -43.84 97.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.087 -1.008 . . . . 0.0 110.166 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -65.84 -42.72 90.17 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.221 -0.924 . . . . 0.0 110.556 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -61.4 -45.4 94.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.044 -1.035 . . . . 0.0 109.948 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.617 HD21 ' OE2' ' A' ' 68' ' ' GLU . 86.4 mt -68.15 -36.91 80.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 109.684 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 4.5 m-70 -59.01 -45.2 91.28 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.22 -0.925 . . . . 0.0 110.266 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.0 t -67.98 -50.31 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 110.143 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.633 ' SD ' HD11 ' A' ' 63' ' ' ILE . 88.5 mtp -68.45 -46.74 69.0 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.096 -1.003 . . . . 0.0 110.387 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.583 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 54.2 t-20 -65.55 -42.49 91.82 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 110.825 -178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.565 HG22 ' HD2' ' A' ' 88' ' ' LYS . 55.1 m -70.77 -49.26 48.63 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.147 -0.97 . . . . 0.0 111.86 -178.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.2 mt -72.02 -34.14 68.6 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.875 -1.141 . . . . 0.0 111.436 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.518 HG23 ' CG ' ' A' ' 25' ' ' TYR . 89.9 mt -77.71 -35.5 21.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 120.905 -1.122 . . . . 0.0 111.008 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.583 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 79.9 m80 -90.8 -28.32 18.29 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.981 -1.075 . . . . 0.0 111.116 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.419 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 62.2 t0 -88.38 104.52 16.85 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.762 -1.211 . . . . 0.0 109.92 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -62.28 -35.09 77.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.259 -0.901 . . . . 0.0 110.423 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.24 -47.37 85.59 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.982 -1.074 . . . . 0.0 109.187 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.565 ' HD2' HG22 ' A' ' 81' ' ' THR . 49.6 mttp -70.91 -33.74 70.85 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.325 -0.86 . . . . 0.0 109.031 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.33 -45.5 69.32 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.375 -0.828 . . . . 0.0 109.845 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' A' ' 131' ' ' ILE . 15.4 ttpt -62.69 -49.06 76.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.181 -0.949 . . . . 0.0 109.801 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.804 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -68.56 -45.41 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.266 -0.896 . . . . 0.0 109.198 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.804 ' N ' HD12 ' A' ' 91' ' ' ILE . 62.5 t80 -62.35 -45.32 93.71 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.194 -0.941 . . . . 0.0 108.629 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CD1' ' A' ' 26' ' ' TYR . 63.8 ttp -70.06 -40.88 74.8 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.472 -0.767 . . . . 0.0 109.633 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.4 tp -61.9 -41.79 98.32 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.058 -1.026 . . . . 0.0 109.609 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -62.61 -47.99 81.38 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.164 -0.96 . . . . 0.0 109.485 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.551 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 65.7 t80 -69.71 -46.05 66.86 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.33 -0.856 . . . . 0.0 109.313 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.635 HG23 HD23 ' A' ' 127' ' ' LEU . 28.5 m -58.04 -42.58 85.69 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.452 -0.78 . . . . 0.0 109.553 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.9 ttm -62.89 -41.67 99.5 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.239 -0.913 . . . . 0.0 109.2 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.1 m -64.53 -37.93 89.24 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.387 -0.821 . . . . 0.0 109.677 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.9 tp -62.27 -41.45 98.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.25 -0.906 . . . . 0.0 109.823 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.606 ' CZ ' ' SG ' ' A' ' 154' ' ' CYS . 76.8 t80 -65.44 -46.47 79.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.341 -0.849 . . . . 0.0 110.146 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -61.3 -45.72 93.31 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.155 -0.965 . . . . 0.0 109.908 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.41 -44.8 86.31 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.215 -0.928 . . . . 0.0 109.024 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.663 ' NZ ' ' SG ' ' A' ' 124' ' ' CYS . 36.1 ttmt -63.27 -37.99 89.43 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.36 -0.837 . . . . 0.0 108.784 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.2 tp -55.91 -44.77 78.6 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -62.61 -38.04 88.63 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.246 -0.909 . . . . 0.0 108.784 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.6 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.7 mm-40 -60.28 -38.6 84.09 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.399 -0.813 . . . . 0.0 109.303 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.732 HD13 ' CE2' ' A' ' 157' ' ' TYR . 62.6 mt -64.81 -37.82 88.9 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.927 -1.108 . . . . 0.0 109.023 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -75.96 -52.8 9.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.392 -0.818 . . . . 0.0 110.844 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -92.76 -22.67 19.22 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.28 -0.888 . . . . 0.0 110.719 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -94.1 155.27 21.84 Favored Glycine 0 N--CA 1.493 2.478 0 C-N-CA 119.576 -1.297 . . . . 0.0 110.09 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -66.72 151.21 83.02 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.915 2.41 . . . . 0.0 111.941 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.868 ' HE1' ' HH ' ' A' ' 157' ' ' TYR . 20.2 m-90 -96.54 123.84 40.33 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.239 -0.913 . . . . 0.0 109.674 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 89.3 m-20 -135.03 171.86 13.83 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.421 -0.799 . . . . 0.0 109.33 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -63.75 -32.49 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.244 -0.91 . . . . 0.0 109.522 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.41 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 70.2 mtm -59.88 -38.27 81.73 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.294 -0.879 . . . . 0.0 109.385 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.5 mm? -65.35 -38.51 90.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.166 -0.958 . . . . 0.0 109.104 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -58.78 -42.95 90.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.914 . . . . 0.0 109.148 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -63.12 -39.99 96.31 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.325 -0.859 . . . . 0.0 109.522 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.541 ' HB2' ' HZ3' ' A' ' 104' ' ' LYS . 78.6 p -65.1 -35.31 80.72 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.276 -0.89 . . . . 0.0 109.618 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 121' ' ' LEU . 96.1 mt -65.85 -41.23 91.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.295 -0.878 . . . . 0.0 109.649 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.645 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 84.5 m95 -63.02 -40.96 99.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.074 -1.017 . . . . 0.0 109.613 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 74.4 m -69.23 -43.79 73.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 0.0 110.128 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.663 ' SG ' ' NZ ' ' A' ' 104' ' ' LYS . 67.5 m -65.13 -49.95 67.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.186 -0.946 . . . . 0.0 110.223 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.433 HG23 HG23 ' A' ' 151' ' ' ILE . 95.9 mt -60.77 -44.08 96.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.085 -1.01 . . . . 0.0 109.681 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.427 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.2 m-20 -60.69 -38.59 85.46 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.221 -0.924 . . . . 0.0 109.388 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.635 HD23 HG23 ' A' ' 97' ' ' THR . 38.8 tp -61.28 -42.53 98.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.406 -0.809 . . . . 0.0 109.584 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -66.18 -43.47 86.74 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.234 -0.916 . . . . 0.0 109.031 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 t -61.56 -36.77 81.55 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.343 -0.848 . . . . 0.0 109.246 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.486 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 73.3 m -60.97 -43.77 98.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.303 -0.873 . . . . 0.0 109.235 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.6 HG23 ' HG3' ' A' ' 90' ' ' LYS . 92.5 mt -59.39 -50.41 79.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 121.255 -0.903 . . . . 0.0 110.008 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.698 HD23 HE22 ' A' ' 148' ' ' GLN . 8.8 mp -67.45 -37.08 82.43 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.358 -0.838 . . . . 0.0 110.209 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -59.21 -50.16 75.09 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.192 -0.943 . . . . 0.0 110.525 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.8 tp -69.56 -43.98 71.81 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.063 -1.023 . . . . 0.0 109.702 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -87.06 4.57 41.51 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.409 -0.807 . . . . 0.0 110.04 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.9 OUTLIER -49.61 -39.91 37.2 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.238 -0.914 . . . . 0.0 109.627 -179.562 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.64 -26.14 66.92 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.16 -0.962 . . . . 0.0 110.149 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -89.12 -4.98 58.12 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.032 -1.043 . . . . 0.0 110.639 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.6 mt -112.87 145.62 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.215 -0.928 . . . . 0.0 109.531 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 54.8 p -77.81 154.98 31.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.337 -0.852 . . . . 0.0 109.37 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.25 -39.8 80.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.282 -0.886 . . . . 0.0 109.881 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.0 m -70.57 -45.35 65.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.852 -1.155 . . . . 0.0 109.759 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.6 m -63.35 -47.68 81.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.174 -0.953 . . . . 0.0 109.461 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.426 HG21 ' NZ ' ' A' ' 136' ' ' LYS . 0.6 OUTLIER -61.89 -38.73 89.44 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.27 -0.894 . . . . 0.0 108.714 179.563 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ASN . . . . . 0.412 ' N ' ' CG2' ' A' ' 144' ' ' THR . 29.7 t-20 -55.57 -43.62 76.08 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.307 -0.871 . . . . 0.0 109.293 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.2 m -60.95 -46.69 89.7 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.22 -0.925 . . . . 0.0 109.297 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' ' 147' ' ' LEU . 6.6 mp -61.77 -38.52 88.35 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.698 HE22 HD23 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -61.66 -36.58 81.22 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.364 -0.835 . . . . 0.0 108.813 179.172 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -60.79 -39.9 90.6 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.23 -0.919 . . . . 0.0 109.068 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -60.92 -40.51 93.45 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.016 -1.052 . . . . 0.0 108.267 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.433 HG23 HG23 ' A' ' 125' ' ' ILE . 88.9 mt -62.01 -37.83 79.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.439 ' O ' HD12 ' A' ' 156' ' ' ILE . 26.3 mmtt -57.67 -41.07 80.79 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -58.3 -41.89 85.43 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' CYS . . . . . 0.606 ' SG ' ' CZ ' ' A' ' 101' ' ' TYR . 55.8 m -65.49 -50.38 65.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.446 -0.784 . . . . 0.0 109.165 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -62.65 -37.65 87.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.252 -0.905 . . . . 0.0 109.55 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.439 HD12 ' O ' ' A' ' 152' ' ' LYS . 1.9 mt -58.97 -46.46 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.272 -0.892 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.868 ' HH ' ' HE1' ' A' ' 113' ' ' TRP . 61.0 t80 -62.59 -40.06 95.69 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.645 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 18.4 tp -59.81 -40.9 89.97 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 121.622 -0.674 . . . . 0.0 109.347 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.0 t -60.91 -41.13 95.52 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.305 -0.872 . . . . 0.0 109.39 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -61.22 -39.88 91.91 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.178 -0.951 . . . . 0.0 108.853 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 72.8 mt -64.78 -34.58 78.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.242 -0.911 . . . . 0.0 108.968 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.11 -36.57 84.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.422 -0.799 . . . . 0.0 109.537 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -81.22 -12.52 59.12 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.116 -0.99 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 87.67 -5.26 85.24 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -96.07 120.56 36.57 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.142 -1.21 . . . . 0.0 109.038 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.747 HD11 ' CE1' ' A' ' 157' ' ' TYR . 9.7 tp . . . . . 0 N--CA 1.488 1.449 0 O-C-N 120.973 -1.079 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.76 -41.6 95.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.246 -0.909 . . . . 0.0 109.114 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -62.34 -43.63 98.38 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.343 -0.848 . . . . 0.0 109.243 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 195' ' ' LEU . . . . . 0.728 HD11 HD22 ' A' ' 53' ' ' LEU . 35.8 tp -61.28 -41.09 96.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.336 -0.852 . . . . 0.0 109.451 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.06 88.24 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.243 -0.911 . . . . 0.0 109.312 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -65.27 -35.33 80.7 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.207 -0.933 . . . . 0.0 109.196 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -60.21 -43.6 95.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.311 -0.868 . . . . 0.0 109.258 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 199' ' ' LEU . . . . . 0.428 HD22 HG21 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -63.85 -41.15 97.87 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.214 -0.929 . . . . 0.0 109.407 179.745 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -59.08 -38.55 79.73 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.282 -0.886 . . . . 0.0 109.268 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.39 88.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.255 -0.903 . . . . 0.0 108.917 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.53 -38.8 85.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.39 -0.819 . . . . 0.0 109.273 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -87.66 -8.88 55.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.375 -0.828 . . . . 0.0 109.408 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 CA-C-O 118.045 -1.42 . . . . 0.0 109.587 179.843 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.44 ' C ' ' OE2' ' A' ' 38' ' ' GLU . 64.9 mtt . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.334 0.588 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.561 ' N ' ' OE2' ' A' ' 38' ' ' GLU . . . -58.82 -38.44 78.66 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.126 -0.984 . . . . 0.0 109.176 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.2 p -63.91 -37.97 89.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.114 -0.991 . . . . 0.0 109.305 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -59.36 -42.06 90.72 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 1.027 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -65.33 -39.66 92.68 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.68 -45.19 95.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.419 -0.801 . . . . 0.0 109.567 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.646 ' NH2' ' SG ' ' A' ' 123' ' ' CYS . 0.1 OUTLIER -60.38 -39.91 88.96 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.229 -0.92 . . . . 0.0 108.719 179.776 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.577 ' CG1' HD13 ' A' ' 27' ' ' LEU . 54.9 t -63.57 -38.43 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.477 -0.764 . . . . 0.0 109.625 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.71 -40.26 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.131 -0.98 . . . . 0.0 108.688 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.23 -42.92 87.97 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.337 -0.852 . . . . 0.0 109.054 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.77 -33.76 75.46 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.214 -0.929 . . . . 0.0 108.734 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.61 95.39 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.218 -0.926 . . . . 0.0 108.793 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -61.7 -39.91 93.14 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -59.06 -41.36 87.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.426 -0.796 . . . . 0.0 109.303 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.98 -40.04 96.55 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.344 -0.848 . . . . 0.0 109.557 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -58.34 -39.54 79.74 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.084 -1.01 . . . . 0.0 108.562 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -61.88 -29.66 70.35 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.494 -0.754 . . . . 0.0 109.02 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -84.01 -11.04 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.483 -0.761 . . . . 0.0 109.541 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.68 14.95 58.97 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.919 -1.273 . . . . 0.0 109.919 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 3.9 mm? -95.44 54.62 1.62 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.215 -1.167 . . . . 0.0 108.975 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.98 -30.65 66.94 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.5 mm -58.44 -48.85 84.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 121.117 -1.225 . . . . 0.0 109.803 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.0 mm -63.3 -42.16 95.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.23 -0.919 . . . . 0.0 108.868 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.23 -42.67 97.36 Favored Glycine 0 N--CA 1.487 2.036 0 N-CA-C 109.866 -1.294 . . . . 0.0 109.866 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.686 ' CE2' HD11 ' A' ' 29' ' ' LEU . 69.2 t80 -60.85 -48.45 81.75 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.945 -1.327 . . . . 0.0 110.596 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 48.2 t80 -67.25 -45.21 77.35 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.956 -1.09 . . . . 0.0 110.551 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.717 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -68.79 -36.47 78.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.975 -1.078 . . . . 0.0 110.408 -178.847 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.457 ' NE2' HG22 ' A' ' 55' ' ' THR . 90.7 mt-30 -61.76 -40.48 95.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.684 -1.26 . . . . 0.0 108.797 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.686 HD11 ' CE2' ' A' ' 25' ' ' TYR . 79.8 mt -62.01 -39.01 90.81 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -66.44 -35.89 81.42 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.179 -0.95 . . . . 0.0 109.167 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.6 93.48 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.363 -0.835 . . . . 0.0 110.263 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.589 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -65.66 -41.91 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.824 -1.172 . . . . 0.0 109.017 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.45 -34.87 76.15 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.969 -1.082 . . . . 0.0 108.775 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.027 HD23 ' HB2' ' A' ' 5' ' ' ALA . 29.4 tp -64.33 -45.4 88.01 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.309 -0.869 . . . . 0.0 109.948 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.479 ' CG2' ' SD ' ' A' ' 45' ' ' MET . 82.5 mt -61.31 -44.65 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.243 -0.91 . . . . 0.0 110.467 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.405 ' N ' ' CD1' ' A' ' 36' ' ' LEU . 6.3 mp -62.65 -32.68 73.77 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.365 -0.834 . . . . 0.0 110.061 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.1 p -71.54 -25.71 62.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.01 -1.057 . . . . 0.0 109.748 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.561 ' OE2' ' N ' ' A' ' 2' ' ' ALA . 98.8 mt-10 -69.17 149.97 48.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.289 -0.882 . . . . 0.0 110.296 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.19 151.53 15.44 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -57.03 135.95 56.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -0.998 . . . . 0.0 109.637 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -122.36 170.97 9.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.735 -0.603 . . . . 0.0 109.53 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.9 t -56.82 171.85 0.3 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.298 -0.876 . . . . 0.0 109.813 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.99 -28.09 55.69 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.515 -0.74 . . . . 0.0 110.88 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.49 -44.44 55.88 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.689 -1.257 . . . . 0.0 109.198 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.576 ' O ' ' SD ' ' A' ' 45' ' ' MET . 7.4 tmm? -66.01 -38.06 87.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.18 -0.95 . . . . 0.0 108.751 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.9 m -59.43 -40.12 85.75 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.318 -0.864 . . . . 0.0 109.128 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.85 99.68 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.319 -0.863 . . . . 0.0 108.875 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 48' ' ' LEU . 83.1 mt -63.17 -36.92 85.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.368 -0.832 . . . . 0.0 109.242 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.52 97.66 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.266 -0.896 . . . . 0.0 109.125 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 m -61.87 -41.48 97.91 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.284 -0.885 . . . . 0.0 109.451 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.95 -42.48 99.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.24 -0.913 . . . . 0.0 109.492 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 52' ' ' LEU . 29.6 tp -59.61 -41.87 91.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.189 -0.944 . . . . 0.0 109.22 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.593 HD22 HD11 ' B' ' 195' ' ' LEU . 34.8 tp -61.69 -38.45 87.86 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.29 -0.881 . . . . 0.0 108.941 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -59.39 -40.66 87.27 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.457 HG22 ' NE2' ' A' ' 28' ' ' GLN . 45.6 m -60.57 -42.9 97.6 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.551 -0.718 . . . . 0.0 109.293 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.7 mt -62.36 -53.09 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.296 -0.877 . . . . 0.0 109.453 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -61.73 -38.88 89.55 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.216 -0.927 . . . . 0.0 108.529 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.592 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.87 -30.96 68.54 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.469 -0.769 . . . . 0.0 108.996 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -58.9 -54.41 47.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.243 -0.911 . . . . 0.0 109.538 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -63.02 -41.67 99.6 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.007 -1.058 . . . . 0.0 109.455 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -82.53 -2.79 54.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.319 -0.863 . . . . 0.0 109.9 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.6 tt0 -49.75 -35.27 21.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.241 -0.912 . . . . 0.0 109.75 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.406 HG13 ' H ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -77.64 -40.84 28.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.173 -0.954 . . . . 0.0 109.829 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.76 2.61 51.88 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.406 ' H ' HG13 ' A' ' 63' ' ' ILE . . . 95.97 -8.25 67.71 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -68.01 -45.47 73.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.272 -1.134 . . . . 0.0 109.65 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.2 t -61.37 -31.39 71.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.365 -0.834 . . . . 0.0 109.338 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.26 -31.72 67.69 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.288 -0.882 . . . . 0.0 109.167 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' GLU . . . -55.86 149.51 14.75 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.064 -1.022 . . . . 0.0 109.323 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 69' ' ' ALA . 66.3 mm-40 59.0 115.18 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.45 -0.781 . . . . 0.0 109.899 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 53.08 47.33 24.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.224 -0.922 . . . . 0.0 109.587 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.4 p -60.41 -35.42 75.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.18 -0.95 . . . . 0.0 110.175 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.06 -44.11 97.88 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.938 -1.101 . . . . 0.0 110.054 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -69.11 -43.94 73.44 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.19 -0.944 . . . . 0.0 110.765 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.8 p -64.15 -42.28 96.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.088 -1.007 . . . . 0.0 110.117 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 76' ' ' LEU . 95.3 mt -68.24 -37.67 81.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.298 -0.876 . . . . 0.0 109.84 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -61.02 -45.69 93.78 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.311 -0.868 . . . . 0.0 110.142 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.0 t -68.99 -49.56 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.053 -1.029 . . . . 0.0 110.063 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.496 ' O ' HD12 ' A' ' 83' ' ' ILE . 98.6 mmm -67.78 -46.49 71.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.162 -0.961 . . . . 0.0 110.36 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.597 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 58.3 t-20 -69.35 -46.39 67.11 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.167 -0.958 . . . . 0.0 111.634 -178.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.2 m -65.61 -49.07 70.09 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.037 -1.039 . . . . 0.0 112.071 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.6 mt -70.82 -34.04 71.3 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.912 -1.117 . . . . 0.0 111.347 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 79' ' ' MET . 84.4 mt -79.26 -42.32 23.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 120.839 -1.163 . . . . 0.0 111.332 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.597 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 66.9 m80 -74.75 -47.93 28.47 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.11 -0.994 . . . . 0.0 111.57 -178.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -83.0 112.41 19.74 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.837 -1.164 . . . . 0.0 110.237 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.84 -37.51 84.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.5 -0.75 . . . . 0.0 110.304 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.36 -41.49 93.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.144 -0.973 . . . . 0.0 109.647 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -62.82 -32.15 73.29 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.246 -0.909 . . . . 0.0 108.702 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.08 -44.87 64.85 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.368 -0.832 . . . . 0.0 110.077 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -63.42 -48.81 76.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.003 -1.061 . . . . 0.0 110.511 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.694 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -62.4 -41.16 90.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.018 -1.051 . . . . 0.0 108.596 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.694 ' N ' HD12 ' A' ' 91' ' ' ILE . 67.4 t80 -62.77 -45.6 91.91 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 79.6 mtp -68.0 -40.7 83.0 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.378 -0.826 . . . . 0.0 109.792 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 94' ' ' LEU . 34.2 tp -60.41 -40.39 90.79 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.148 -0.97 . . . . 0.0 108.771 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -62.31 -43.36 99.0 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.411 -0.806 . . . . 0.0 109.245 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.56 ' HE2' HD22 ' A' ' 100' ' ' LEU . 64.3 t80 -64.13 -42.73 96.7 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.503 -0.748 . . . . 0.0 109.595 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.1 p -61.4 -41.88 97.84 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.254 -0.904 . . . . 0.0 109.824 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 95.8 mmm -62.99 -42.59 99.88 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.19 -0.944 . . . . 0.0 109.457 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.9 p -75.31 -38.7 60.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.248 -0.908 . . . . 0.0 109.462 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.56 HD22 ' HE2' ' A' ' 96' ' ' PHE . 29.3 tp -69.01 -43.57 74.53 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.313 -0.867 . . . . 0.0 109.761 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.687 ' CE2' HD11 ' A' ' 105' ' ' LEU . 76.7 t80 -63.21 -45.43 91.73 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.304 -0.872 . . . . 0.0 109.962 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -59.79 -41.83 92.04 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.249 -0.907 . . . . 0.0 109.716 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -61.67 -41.23 97.26 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 109.674 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.582 ' NZ ' ' O ' ' A' ' 120' ' ' SER . 25.8 mttt -61.59 -41.23 97.13 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.113 -0.992 . . . . 0.0 109.933 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.687 HD11 ' CE2' ' A' ' 101' ' ' TYR . 82.4 mt -59.32 -43.2 92.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.054 -1.029 . . . . 0.0 109.089 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -63.16 -38.6 91.8 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.277 -0.89 . . . . 0.0 109.469 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.0 mt-30 -62.22 -40.01 94.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.916 . . . . 0.0 109.979 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.505 HD13 ' CE2' ' A' ' 157' ' ' TYR . 68.2 mt -65.67 -38.43 89.29 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.021 -1.05 . . . . 0.0 109.304 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -78.16 -52.98 7.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.871 . . . . 0.0 110.21 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -83.57 -23.05 32.14 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.39 -0.819 . . . . 0.0 110.503 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -105.51 155.39 16.93 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 110.209 -1.156 . . . . 0.0 110.209 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -67.78 154.12 73.95 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.868 2.379 . . . . 0.0 111.93 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.579 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 23.8 m-90 -89.83 117.31 28.57 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.264 -0.897 . . . . 0.0 109.565 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 88.1 m-20 -135.08 170.08 16.45 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.327 -0.858 . . . . 0.0 109.367 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.7 m -64.15 -32.09 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.223 -0.923 . . . . 0.0 109.526 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.9 mtm -59.52 -38.33 80.71 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.303 -0.873 . . . . 0.0 109.575 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.5 mm? -65.25 -37.92 88.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.168 -0.957 . . . . 0.0 108.957 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -59.87 -42.05 92.87 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.341 -0.849 . . . . 0.0 109.271 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -63.07 -42.28 99.63 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.306 -0.871 . . . . 0.0 109.368 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.582 ' O ' ' NZ ' ' A' ' 104' ' ' LYS . 22.6 m -62.89 -39.85 95.76 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.369 -0.832 . . . . 0.0 109.469 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.434 HD23 HD13 ' A' ' 158' ' ' LEU . 23.6 tp -61.81 -42.23 98.76 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.396 -0.815 . . . . 0.0 109.398 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -60.49 -38.26 83.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.162 -0.961 . . . . 0.0 109.165 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.646 ' SG ' ' NH2' ' A' ' 7' ' ' ARG . 74.0 m -61.8 -44.28 97.18 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.254 -0.904 . . . . 0.0 109.367 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -47.81 82.79 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.211 -0.93 . . . . 0.0 109.499 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.7 mt -60.08 -36.81 69.93 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.148 -0.97 . . . . 0.0 108.711 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.75 -40.63 88.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.306 -0.871 . . . . 0.0 109.269 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.541 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 83.5 mt -62.14 -41.6 98.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.221 -0.924 . . . . 0.0 109.138 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -68.82 -42.6 77.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.306 -0.871 . . . . 0.0 109.905 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.3 t -61.85 -42.97 99.69 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.241 -0.912 . . . . 0.0 110.487 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.541 ' SG ' ' O ' ' A' ' 127' ' ' LEU . 29.3 p -68.75 -49.65 57.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.038 -1.039 . . . . 0.0 110.487 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.515 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 85.5 mt -63.41 -50.48 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 O-C-N 120.962 -1.086 . . . . 0.0 110.393 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 136' ' ' LYS . 90.9 mt -64.68 -38.82 92.3 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -0.892 . . . . 0.0 110.342 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -59.4 -49.52 77.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.115 -0.991 . . . . 0.0 110.177 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 37.4 tp -66.0 -42.78 89.29 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.079 -1.013 . . . . 0.0 109.618 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -87.03 0.08 55.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.394 -0.816 . . . . 0.0 110.344 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.0 OUTLIER -52.73 -36.56 57.78 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.061 -1.024 . . . . 0.0 110.078 -179.297 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -62.45 -25.69 68.11 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.183 -0.948 . . . . 0.0 109.247 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -89.62 -3.66 58.17 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.306 -0.871 . . . . 0.0 109.964 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.7 mm -105.38 141.19 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.218 -0.926 . . . . 0.0 109.376 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 48.9 m -77.33 155.23 32.13 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -54.62 -43.24 72.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.961 -1.087 . . . . 0.0 109.404 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 29.8 m -70.76 -43.29 69.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.941 -1.099 . . . . 0.0 108.714 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 44.0 m -59.08 -37.84 78.07 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.433 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -62.71 -39.0 92.64 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.774 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -57.67 -41.63 81.94 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.499 -0.75 . . . . 0.0 109.226 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 18.8 t -61.91 -50.92 70.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.37 -0.831 . . . . 0.0 109.537 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 51.9 mt -64.79 -43.51 92.96 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.232 -0.917 . . . . 0.0 108.812 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.596 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -64.94 -33.32 75.75 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.094 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -60.18 -45.21 93.9 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.261 -0.9 . . . . 0.0 109.22 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -61.48 -42.6 99.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.135 -0.978 . . . . 0.0 108.619 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 148' ' ' GLN . 89.5 mt -61.2 -39.76 83.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -57.93 -40.05 79.52 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.582 ' HA ' HD12 ' A' ' 156' ' ' ILE . 74.8 t80 -58.4 -43.24 88.48 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' CYS . . . . . 0.587 ' HG ' ' HH ' ' A' ' 101' ' ' TYR . 7.2 m -62.09 -50.51 71.64 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -62.48 -33.94 75.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.333 -0.855 . . . . 0.0 109.442 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 153' ' ' TYR . 17.2 mt -58.03 -49.11 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 O-C-N 121.17 -0.956 . . . . 0.0 110.179 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.579 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 61.8 t80 -63.92 -40.14 95.79 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.05 -1.031 . . . . 0.0 108.306 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.434 HD13 HD23 ' A' ' 121' ' ' LEU . 35.9 tp -59.15 -41.47 88.44 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.675 -0.641 . . . . 0.0 109.543 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 85.6 p -64.35 -38.02 89.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.136 -0.978 . . . . 0.0 109.211 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -62.59 -39.23 93.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.148 -0.97 . . . . 0.0 109.207 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.424 HD21 ' CE2' ' A' ' 157' ' ' TYR . 57.0 mt -63.74 -36.9 85.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.079 -1.013 . . . . 0.0 108.741 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.4 -37.18 84.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.351 -0.843 . . . . 0.0 109.154 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -81.87 -10.51 59.28 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.26 -0.9 . . . . 0.0 109.375 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 90.38 2.58 73.3 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -94.61 140.73 29.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.299 -1.118 . . . . 0.0 109.717 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.415 HG23 ' OH ' ' A' ' 157' ' ' TYR . 35.3 mm . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.41 -0.806 . . . . 0.0 109.438 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.49 -40.67 92.18 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.346 -0.846 . . . . 0.0 108.962 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -61.67 -40.09 93.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.407 -0.808 . . . . 0.0 109.194 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 195' ' ' LEU . . . . . 0.593 HD11 HD22 ' A' ' 53' ' ' LEU . 24.6 tp -59.43 -42.51 92.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.259 -0.9 . . . . 0.0 109.092 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.29 90.24 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.259 -0.901 . . . . 0.0 109.173 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 197' ' ' GLN . . . . . 0.458 ' HA ' ' HE ' ' B' ' 200' ' ' ARG . 49.8 tt0 -65.23 -35.83 82.26 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.202 -0.936 . . . . 0.0 109.275 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -62.53 -43.03 99.81 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.25 -0.906 . . . . 0.0 109.272 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 199' ' ' LEU . . . . . 0.589 HD22 HG21 ' A' ' 32' ' ' VAL . 4.1 tp -63.33 -45.09 92.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.287 -0.883 . . . . 0.0 109.602 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 200' ' ' ARG . . . . . 0.458 ' HE ' ' HA ' ' B' ' 197' ' ' GLN . 78.9 mtm180 -60.05 -37.22 79.19 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.144 -0.973 . . . . 0.0 109.022 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.23 80.17 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 23.6 tp -60.49 -39.18 86.76 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.431 -0.793 . . . . 0.0 108.975 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -87.48 -9.78 53.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.364 -0.835 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 CA-C-O 117.975 -1.458 . . . . 0.0 109.522 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.375 0.607 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.818 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -59.56 -36.97 77.22 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.149 -0.97 . . . . 0.0 109.071 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -63.37 -39.84 95.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.209 -0.932 . . . . 0.0 109.186 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -58.16 -44.18 87.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.102 -0.999 . . . . 0.0 108.419 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.69 93.32 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.57 92.5 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.452 -0.78 . . . . 0.0 109.106 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.417 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.33 -42.63 96.05 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.497 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.23 -39.11 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.335 -0.853 . . . . 0.0 109.439 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.85 -39.55 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.248 -0.908 . . . . 0.0 108.692 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.87 91.34 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.388 -0.82 . . . . 0.0 108.919 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -34.05 70.44 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.385 -0.822 . . . . 0.0 108.869 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.561 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -59.04 -46.89 87.08 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.226 -0.921 . . . . 0.0 108.933 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -62.46 -40.46 96.71 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -60.11 -38.73 83.87 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.492 -0.755 . . . . 0.0 109.048 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.11 -44.59 97.12 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.431 -0.793 . . . . 0.0 109.356 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -58.94 -38.93 80.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.0 109.071 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -60.51 -29.72 69.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.473 -0.767 . . . . 0.0 109.418 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 18' ' ' VAL . 63.8 t -83.67 -8.81 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.311 -0.868 . . . . 0.0 109.697 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.39 16.91 56.45 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.435 HD13 ' CE1' ' A' ' 96' ' ' PHE . 68.7 mt -95.58 50.2 1.22 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.273 -1.133 . . . . 0.0 109.026 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.94 -34.66 57.89 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.7 mm -61.63 -52.76 57.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 O-C-N 121.094 -1.239 . . . . 0.0 109.157 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.6 mm -65.64 -41.66 91.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 O-C-N 121.32 -0.862 . . . . 0.0 108.904 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.21 -38.76 93.65 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.649 ' CE1' HD11 ' A' ' 29' ' ' LEU . 59.0 t80 -65.66 -48.41 72.21 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.202 -1.175 . . . . 0.0 110.75 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 67.7 t80 -63.52 -47.37 81.92 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.036 -1.04 . . . . 0.0 110.886 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 27' ' ' LEU . 3.1 pp -68.12 -30.45 69.6 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.858 -1.151 . . . . 0.0 109.183 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.449 ' OE1' ' CD1' ' A' ' 52' ' ' LEU . 8.0 tp-100 -60.1 -41.63 92.95 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.649 HD11 ' CE1' ' A' ' 25' ' ' TYR . 90.9 mt -61.09 -38.07 84.97 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.641 ' CE2' HD21 ' A' ' 34' ' ' LEU . 79.8 t80 -63.81 -38.31 90.63 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.282 -0.886 . . . . 0.0 109.538 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.09 -46.17 90.26 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.152 -0.968 . . . . 0.0 110.419 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.738 HG21 HD22 ' B' ' 199' ' ' LEU . 1.4 p -62.26 -37.1 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.786 -1.196 . . . . 0.0 108.858 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.92 -34.73 75.13 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.89 -1.131 . . . . 0.0 108.638 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.641 HD21 ' CE2' ' A' ' 30' ' ' TYR . 3.8 mm? -65.7 -42.54 91.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.258 -0.901 . . . . 0.0 109.42 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.9 -48.39 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 O-C-N 121.121 -0.987 . . . . 0.0 110.047 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.2 mp -65.97 -35.04 79.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.23 -0.918 . . . . 0.0 109.384 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -81.37 -0.9 43.37 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.913 . . . . 0.0 109.11 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.818 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 84.5 tt0 -90.29 149.7 22.23 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.39 -0.819 . . . . 0.0 109.724 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.14 150.56 17.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.389 -0.819 . . . . 0.0 109.549 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -58.4 133.08 55.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.897 . . . . 0.0 109.869 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.477 ' NH1' ' CB ' ' A' ' 2' ' ' ALA . 67.0 mtp180 -121.85 170.73 9.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.72 -0.612 . . . . 0.0 109.582 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.8 p -57.51 171.35 0.45 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.403 -0.811 . . . . 0.0 110.086 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -56.17 -27.84 55.86 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.636 -0.665 . . . . 0.0 110.878 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -52.03 -41.15 62.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.698 -1.251 . . . . 0.0 109.262 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.581 ' O ' ' SD ' ' A' ' 45' ' ' MET . 4.5 tmm? -66.85 -37.87 85.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.109 -0.995 . . . . 0.0 109.128 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.3 p -61.09 -37.65 83.48 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.26 -0.9 . . . . 0.0 109.192 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.52 -44.85 89.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.271 -0.893 . . . . 0.0 108.723 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.43 -37.22 86.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.345 -0.847 . . . . 0.0 109.105 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.14 94.21 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.129 -0.982 . . . . 0.0 108.761 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -60.88 -40.89 94.73 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.322 -0.861 . . . . 0.0 109.133 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.28 -40.81 95.51 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.267 -0.896 . . . . 0.0 109.576 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.449 ' CD1' ' OE1' ' A' ' 28' ' ' GLN . 3.8 mm? -60.47 -43.59 96.76 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.117 -0.989 . . . . 0.0 109.639 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.56 HD13 HD12 ' A' ' 56' ' ' ILE . 4.0 mm? -61.9 -39.03 90.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.065 -1.022 . . . . 0.0 109.063 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -59.92 -40.58 89.37 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.1 m -60.57 -42.33 96.43 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.6 -0.688 . . . . 0.0 109.536 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.56 HD12 HD13 ' A' ' 53' ' ' LEU . 77.7 mt -58.84 -52.01 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.108 -0.995 . . . . 0.0 108.928 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.588 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.6 mt-10 -61.73 -36.39 80.82 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -65.48 -33.41 75.86 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -58.78 -52.21 66.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 108.802 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -61.37 -38.94 88.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.245 -0.91 . . . . 0.0 108.9 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -82.14 -1.12 47.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.377 -0.827 . . . . 0.0 109.459 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.9 tt0 -48.19 -31.78 6.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.305 -0.872 . . . . 0.0 110.556 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.562 HD11 ' SD ' ' A' ' 79' ' ' MET . 84.8 mt -67.01 -41.34 87.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 120.907 -1.121 . . . . 0.0 109.539 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.9 -5.27 8.06 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.517 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 94.08 -6.58 72.66 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.71 -46.77 80.9 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.153 -1.204 . . . . 0.0 109.696 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 70' ' ' GLU . 17.6 m -65.18 -32.58 74.34 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.195 -0.941 . . . . 0.0 108.784 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.04 -28.33 68.98 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.588 -0.695 . . . . 0.0 109.669 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.34 94.23 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.904 -1.122 . . . . 0.0 110.154 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.5 mt-10 -135.14 145.36 47.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.156 -0.965 . . . . 0.0 109.996 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 48.75 42.49 19.84 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.221 -0.925 . . . . 0.0 109.166 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.7 p -63.82 -37.28 86.78 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.322 -0.861 . . . . 0.0 110.156 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.51 -42.48 98.87 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.082 -1.011 . . . . 0.0 109.87 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -66.93 -46.82 73.58 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.255 -0.903 . . . . 0.0 110.798 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.6 p -65.25 -42.69 93.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.946 -1.096 . . . . 0.0 109.872 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 95.5 mt -68.47 -38.12 80.77 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.354 -0.841 . . . . 0.0 109.956 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -59.97 -45.65 91.99 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.418 -0.801 . . . . 0.0 110.29 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.15 -50.21 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.038 -1.039 . . . . 0.0 109.999 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.562 ' SD ' HD11 ' A' ' 63' ' ' ILE . 88.2 mtp -68.61 -46.33 69.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.945 . . . . 0.0 110.618 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.544 ' OD1' ' CE1' ' A' ' 84' ' ' HIS . 14.4 t30 -65.23 -45.26 85.34 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.197 -0.939 . . . . 0.0 111.042 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.9 m -68.42 -49.03 62.92 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.135 -0.978 . . . . 0.0 111.917 -178.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 60.8 mt -72.76 -33.89 66.64 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.851 -1.156 . . . . 0.0 111.581 -178.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.5 mt -79.04 -42.4 23.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 120.867 -1.145 . . . . 0.0 111.09 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.544 ' CE1' ' OD1' ' A' ' 80' ' ' ASN . 80.6 m80 -75.91 -48.18 22.36 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.995 -1.065 . . . . 0.0 110.854 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -82.85 106.27 14.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.853 -1.155 . . . . 0.0 109.776 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.62 -35.66 78.52 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.403 -0.811 . . . . 0.0 109.929 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.66 -43.44 93.94 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.158 -0.964 . . . . 0.0 109.745 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -62.46 -35.85 80.59 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.46 -38.93 71.24 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.181 -0.949 . . . . 0.0 109.51 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -58.48 -48.47 80.67 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.228 -0.92 . . . . 0.0 110.747 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.075 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -72.51 -37.95 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.841 -1.162 . . . . 0.0 109.117 -179.495 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 1.075 ' N ' HD13 ' A' ' 91' ' ' ILE . 59.5 t80 -62.14 -44.44 96.62 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.999 -1.063 . . . . 0.0 108.156 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 69.9 mtm -69.59 -39.28 77.4 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.511 -0.743 . . . . 0.0 109.501 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.438 ' O ' ' OG1' ' A' ' 97' ' ' THR . 34.0 tp -61.47 -41.98 98.08 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 121.179 -0.951 . . . . 0.0 109.425 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -63.22 -43.72 97.29 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.222 -0.924 . . . . 0.0 109.537 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.435 ' CE1' HD13 ' A' ' 20' ' ' LEU . 79.4 t80 -62.53 -42.96 99.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.242 -0.911 . . . . 0.0 109.662 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 93' ' ' MET . 66.2 p -58.43 -43.2 88.65 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.265 -0.897 . . . . 0.0 109.849 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 89.2 mtp -63.0 -43.52 98.56 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.21 -0.931 . . . . 0.0 109.373 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.2 p -71.74 -37.65 70.53 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.238 -0.914 . . . . 0.0 109.178 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.0 tp -64.82 -41.91 95.38 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.282 -0.886 . . . . 0.0 109.152 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.748 ' CE2' HD11 ' A' ' 105' ' ' LEU . 90.1 t80 -61.71 -43.07 99.57 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.4 -0.812 . . . . 0.0 109.811 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -58.54 -41.59 85.89 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.186 -0.947 . . . . 0.0 109.439 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.84 -40.82 96.64 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.347 -0.845 . . . . 0.0 109.621 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -61.74 -40.88 96.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.151 -0.968 . . . . 0.0 109.68 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.748 HD11 ' CE2' ' A' ' 101' ' ' TYR . 80.5 mt -58.51 -45.41 88.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.134 -0.979 . . . . 0.0 108.86 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -61.19 -38.62 87.2 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.135 -0.978 . . . . 0.0 109.613 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -62.5 -41.03 98.54 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.24 -0.912 . . . . 0.0 109.985 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.796 HD13 ' CE2' ' A' ' 157' ' ' TYR . 74.5 mt -65.41 -37.86 88.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.119 -0.988 . . . . 0.0 109.062 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -78.03 -53.04 7.87 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.568 -0.707 . . . . 0.0 110.34 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -82.89 -22.97 33.78 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.44 -0.787 . . . . 0.0 110.438 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.73 155.22 17.82 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -69.03 154.18 71.05 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.807 2.338 . . . . 0.0 111.908 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.572 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 13.8 m-90 -90.51 112.97 24.84 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.256 -0.903 . . . . 0.0 109.761 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.2 m-20 -135.14 173.42 11.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.384 -0.823 . . . . 0.0 109.183 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.458 ' H ' HG13 ' A' ' 115' ' ' VAL . 2.2 m -62.3 -33.1 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.135 -0.978 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.415 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.0 mtm -60.23 -38.03 82.13 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.325 -0.859 . . . . 0.0 109.462 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.6 mm? -64.51 -39.11 93.17 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.125 -0.985 . . . . 0.0 109.155 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -59.66 -42.13 92.16 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.228 -0.92 . . . . 0.0 109.158 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -62.43 -39.24 92.69 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.382 -0.824 . . . . 0.0 109.532 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.6 m -62.01 -40.89 97.23 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.319 -0.863 . . . . 0.0 109.86 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.523 HD12 HD13 ' A' ' 158' ' ' LEU . 78.3 mt -63.66 -41.45 98.2 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.262 -0.899 . . . . 0.0 109.457 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -60.81 -37.91 83.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.118 -0.989 . . . . 0.0 109.461 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 77.9 m -63.1 -46.11 88.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.219 -0.926 . . . . 0.0 109.691 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 80.1 m -62.65 -46.28 88.95 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.122 -0.986 . . . . 0.0 109.736 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.51 -38.08 76.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.223 -0.923 . . . . 0.0 109.112 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.561 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 89.9 m-20 -61.56 -40.8 96.04 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.355 -0.84 . . . . 0.0 109.847 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.48 -44.0 97.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.155 -0.966 . . . . 0.0 109.768 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.631 ' CD1' HD11 ' A' ' 151' ' ' ILE . 31.1 t80 -70.89 -43.04 69.18 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.274 -0.891 . . . . 0.0 109.748 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.1 p -65.46 -34.76 79.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.871 . . . . 0.0 110.053 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' A' ' 126' ' ' ASP . 73.0 m -68.45 -49.69 58.06 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.111 -0.993 . . . . 0.0 109.72 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 82.9 mt -66.93 -47.74 81.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 O-C-N 121.184 -0.948 . . . . 0.0 109.719 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.585 ' O ' ' N ' ' A' ' 136' ' ' LYS . 42.9 tp -61.82 -39.86 93.27 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.392 -0.818 . . . . 0.0 109.872 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -59.84 -49.38 77.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.162 -0.961 . . . . 0.0 109.956 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 34.2 tp -65.58 -42.24 91.96 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.184 -0.948 . . . . 0.0 109.648 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -86.76 -3.27 59.03 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.363 -0.835 . . . . 0.0 110.274 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.585 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -49.8 -38.94 36.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.171 -0.955 . . . . 0.0 109.787 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -64.19 -26.0 68.32 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.193 -0.942 . . . . 0.0 109.428 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -89.66 -3.63 58.15 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.204 -0.935 . . . . 0.0 110.369 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.5 mm -104.92 147.3 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.101 -0.999 . . . . 0.0 109.169 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 55.2 p -77.18 155.36 32.31 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -0.908 . . . . 0.0 109.081 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -58.12 -38.59 76.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.162 -0.961 . . . . 0.0 109.835 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 41.5 m -74.13 -45.22 50.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.811 -1.18 . . . . 0.0 109.61 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 33.1 t -63.32 -45.63 90.41 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.179 -0.95 . . . . 0.0 109.784 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.579 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.8 OUTLIER -63.53 -39.06 93.43 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.002 -1.061 . . . . 0.0 108.747 179.572 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ASN . . . . . 0.428 ' N ' ' CG2' ' A' ' 144' ' ' THR . 13.0 t-20 -55.73 -42.73 75.78 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.293 -0.879 . . . . 0.0 108.908 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.3 m -61.48 -42.96 99.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.301 -0.874 . . . . 0.0 109.192 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 54.5 mt -61.69 -39.12 90.32 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.609 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -62.36 -35.64 79.77 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.007 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -61.85 -39.75 92.93 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.292 -0.88 . . . . 0.0 109.246 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -62.15 -42.65 99.46 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.078 -1.014 . . . . 0.0 108.288 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.631 HD11 ' CD1' ' A' ' 128' ' ' PHE . 92.4 mt -65.4 -38.42 82.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -58.46 -40.86 83.8 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.581 ' HA ' HD12 ' A' ' 156' ' ' ILE . 71.5 t80 -58.55 -43.15 89.22 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' CYS . . . . . 0.668 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 28.7 m -62.03 -50.27 72.69 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -63.38 -33.45 75.57 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.402 -0.811 . . . . 0.0 109.516 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 153' ' ' TYR . 14.6 mt -57.93 -48.81 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 O-C-N 121.21 -0.931 . . . . 0.0 109.813 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.796 ' CE2' HD13 ' A' ' 108' ' ' LEU . 73.2 t80 -63.7 -42.26 98.01 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.523 HD13 HD12 ' A' ' 121' ' ' LEU . 40.6 tp -60.79 -41.34 95.41 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.722 -0.611 . . . . 0.0 109.414 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.4 t -62.81 -40.86 98.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.301 -0.875 . . . . 0.0 109.663 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -61.43 -39.06 89.39 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.108 -0.995 . . . . 0.0 109.144 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.513 HD11 ' CE2' ' A' ' 157' ' ' TYR . 8.9 mp -64.58 -35.95 82.65 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.162 -0.961 . . . . 0.0 108.85 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.18 -37.23 84.49 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.338 -0.851 . . . . 0.0 108.947 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -81.85 -10.75 59.22 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.31 -0.869 . . . . 0.0 109.266 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.45 -0.47 71.2 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.8 143.56 26.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.192 -1.181 . . . . 0.0 109.756 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 40.8 mm . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.531 -0.73 . . . . 0.0 109.348 179.516 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -63.17 -39.49 94.8 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.305 -0.872 . . . . 0.0 109.105 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -60.65 -43.68 97.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.332 -0.855 . . . . 0.0 109.357 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.15 -42.38 98.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.26 -0.9 . . . . 0.0 109.127 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.93 92.25 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.258 -0.901 . . . . 0.0 109.077 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.37 -35.45 81.01 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.228 -0.92 . . . . 0.0 109.107 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 198' ' ' ARG . . . . . 0.588 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 59.9 ttt-85 -61.13 -43.4 98.95 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.235 -0.915 . . . . 0.0 109.131 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 199' ' ' LEU . . . . . 0.738 HD22 HG21 ' A' ' 32' ' ' VAL . 5.5 tp -61.48 -44.28 97.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.359 -0.838 . . . . 0.0 108.891 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -59.17 -37.6 77.74 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.61 -34.81 78.71 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 202' ' ' LEU . . . . . 0.55 ' CD2' HG21 ' A' ' 56' ' ' ILE . 6.7 tp -59.24 -39.3 82.32 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.453 -0.78 . . . . 0.0 108.914 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -97.02 -0.44 47.3 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.393 -0.817 . . . . 0.0 109.472 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.322 0.582 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.15 78.55 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.202 -0.936 . . . . 0.0 109.066 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -64.02 -38.39 90.89 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.257 -0.902 . . . . 0.0 109.355 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -58.82 -41.21 86.3 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.994 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.83 -39.47 94.31 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.62 95.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.393 -0.817 . . . . 0.0 109.64 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.42 ' CZ ' ' SG ' ' A' ' 123' ' ' CYS . 0.0 OUTLIER -60.43 -42.48 96.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.05 -1.031 . . . . 0.0 108.564 179.732 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.41 ' CG1' HD13 ' A' ' 27' ' ' LEU . 55.7 t -62.75 -36.67 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.403 -0.81 . . . . 0.0 109.224 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 5' ' ' ALA . 79.0 t -60.52 -39.29 80.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.229 -0.919 . . . . 0.0 108.643 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.5 -45.17 84.61 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.275 -0.89 . . . . 0.0 109.056 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -32.69 74.35 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.491 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -60.0 -43.29 95.28 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.336 -0.853 . . . . 0.0 108.899 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -61.46 -40.97 96.42 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.78 -39.0 83.43 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.425 -0.797 . . . . 0.0 108.908 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -61.26 -42.43 98.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.401 -0.812 . . . . 0.0 109.174 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.82 -38.73 79.31 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.253 -0.905 . . . . 0.0 108.86 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -59.93 -30.85 69.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.499 -0.751 . . . . 0.0 109.08 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 18' ' ' VAL . 65.6 t -84.1 -8.72 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.446 -0.784 . . . . 0.0 109.644 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.49 17.1 55.86 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.5 mt -95.72 48.7 1.14 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -1.052 . . . . 0.0 108.953 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.0 -27.9 62.93 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.3 mm -58.17 -54.85 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 120.871 -1.37 . . . . 0.0 109.945 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.8 mp -65.76 -35.07 74.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.093 -1.004 . . . . 0.0 109.451 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.96 -42.64 96.93 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.701 ' CE2' HD11 ' A' ' 29' ' ' LEU . 75.8 t80 -65.01 -48.77 72.73 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.034 -1.274 . . . . 0.0 110.46 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.443 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 71.5 m-85 -72.08 -41.01 67.85 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.072 -1.018 . . . . 0.0 110.798 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.743 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -67.87 -36.41 80.21 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.808 -1.183 . . . . 0.0 109.404 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.452 ' NE2' HD11 ' A' ' 52' ' ' LEU . 19.5 mm100 -64.41 -39.72 94.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.895 -1.128 . . . . 0.0 108.924 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.701 HD11 ' CE2' ' A' ' 25' ' ' TYR . 51.1 mt -60.17 -38.43 83.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.124 -0.985 . . . . 0.0 108.358 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -65.93 -36.05 82.29 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.28 -0.887 . . . . 0.0 109.264 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.05 -46.02 92.38 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.267 -0.896 . . . . 0.0 110.231 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.541 HG21 HD22 ' B' ' 199' ' ' LEU . 1.5 p -64.7 -44.41 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 120.823 -1.173 . . . . 0.0 108.894 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -61.08 -34.66 75.27 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.98 -1.075 . . . . 0.0 108.646 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.994 HD23 ' HB2' ' A' ' 5' ' ' ALA . 37.6 tp -63.96 -44.59 92.3 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.321 -0.862 . . . . 0.0 109.809 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.28 -43.05 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.228 -0.92 . . . . 0.0 110.085 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mp -61.16 -31.94 71.67 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.35 -0.844 . . . . 0.0 109.446 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.9 p -71.52 -23.95 61.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.162 -0.961 . . . . 0.0 109.335 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.92 150.89 48.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.345 -0.847 . . . . 0.0 109.764 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.14 151.43 12.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.324 -0.86 . . . . 0.0 109.013 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -56.93 136.56 55.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.192 -0.943 . . . . 0.0 109.926 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -122.35 170.97 9.41 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.5 m -57.0 170.46 0.44 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.29 -0.881 . . . . 0.0 109.753 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -55.92 -26.17 46.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.551 -0.718 . . . . 0.0 110.842 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.25 -41.86 63.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.728 -1.232 . . . . 0.0 109.328 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.577 ' O ' ' SD ' ' A' ' 45' ' ' MET . 8.4 tmm? -66.14 -38.64 88.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.091 -1.006 . . . . 0.0 108.797 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.5 m -59.53 -40.19 86.39 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.331 -0.855 . . . . 0.0 109.306 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.45 99.62 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.361 -0.837 . . . . 0.0 108.997 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.07 -36.73 84.98 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.413 -0.804 . . . . 0.0 109.319 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.44 98.21 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.255 -0.903 . . . . 0.0 109.187 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.6 m -61.83 -41.4 97.75 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.374 -0.829 . . . . 0.0 109.443 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.6 -41.92 98.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.262 -0.899 . . . . 0.0 109.528 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.463 HD23 ' HB ' ' A' ' 32' ' ' VAL . 32.5 tp -60.21 -42.26 94.77 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.15 -0.969 . . . . 0.0 109.379 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.69 HD12 HD12 ' A' ' 56' ' ' ILE . 42.4 tp -61.4 -38.93 88.86 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.137 -0.977 . . . . 0.0 108.819 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -59.79 -39.26 84.37 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 59' ' ' PHE . 46.0 m -60.21 -41.97 94.13 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.564 -0.71 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.69 HD12 HD12 ' A' ' 53' ' ' LEU . 91.9 mt -58.56 -51.96 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.17 -0.956 . . . . 0.0 108.948 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.527 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.7 mt-10 -63.03 -36.67 84.34 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 178.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.604 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -68.56 -31.37 70.54 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' THR . 58.6 t80 -58.71 -54.05 51.48 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.182 -0.949 . . . . 0.0 109.266 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -61.44 -43.72 98.37 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.116 -0.99 . . . . 0.0 109.511 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -83.19 -1.98 54.39 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.391 -0.818 . . . . 0.0 110.422 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.604 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.7 tt0 -48.93 -35.7 15.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.028 -1.045 . . . . 0.0 110.05 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.541 HD11 ' SD ' ' A' ' 79' ' ' MET . 89.1 mt -68.97 -40.95 81.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.081 -1.012 . . . . 0.0 109.916 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.28 -5.43 72.59 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.37 -5.72 82.62 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -66.24 -47.0 75.2 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.125 -1.221 . . . . 0.0 109.903 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m -67.17 -34.23 77.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.233 -0.917 . . . . 0.0 109.192 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' ALA . 96.9 mt-10 -61.92 -29.75 70.43 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.517 -0.739 . . . . 0.0 109.835 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -40.0 -36.08 0.44 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 0.0 109.879 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -111.85 131.82 55.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.445 -0.784 . . . . 0.0 109.149 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 51.82 47.1 25.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 109.216 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 t -57.46 -39.21 75.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.866 . . . . 0.0 110.371 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.483 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 90.8 m-20 -59.71 -43.05 94.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.087 -1.008 . . . . 0.0 110.328 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -65.94 -42.02 90.55 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.133 -0.979 . . . . 0.0 110.386 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.6 p -65.2 -42.66 93.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.015 -1.053 . . . . 0.0 109.997 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.417 ' HB3' ' ND2' ' A' ' 80' ' ' ASN . 96.3 mt -68.4 -37.98 80.87 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.322 -0.861 . . . . 0.0 109.833 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 4.6 m-70 -60.19 -45.2 93.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.281 -0.887 . . . . 0.0 110.448 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.48 -49.8 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.167 -0.958 . . . . 0.0 110.404 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.541 ' SD ' HD11 ' A' ' 63' ' ' ILE . 88.6 mtp -68.13 -46.64 70.3 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.137 -0.977 . . . . 0.0 110.959 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.439 ' HA ' ' HD1' ' A' ' 84' ' ' HIS . 87.5 m-20 -67.81 -40.24 83.87 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.978 -1.076 . . . . 0.0 111.146 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.488 HG22 ' HD2' ' A' ' 88' ' ' LYS . 90.0 m -69.22 -49.92 52.04 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.053 -1.029 . . . . 0.0 111.887 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.4 mt -74.51 -33.93 62.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.821 -1.174 . . . . 0.0 111.56 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.3 mt -77.08 -35.63 23.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 120.834 -1.166 . . . . 0.0 111.025 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.439 ' HD1' ' HA ' ' A' ' 80' ' ' ASN . 77.3 m80 -89.7 -30.89 17.76 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.869 -1.144 . . . . 0.0 111.167 -178.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -85.64 108.79 18.17 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.747 -1.22 . . . . 0.0 109.737 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -62.09 -39.22 91.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.515 -0.741 . . . . 0.0 111.175 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.69 -47.64 80.36 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.96 -1.088 . . . . 0.0 110.574 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.488 ' HD2' HG22 ' A' ' 81' ' ' THR . 69.3 mttm -63.23 -32.69 74.16 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.131 -0.981 . . . . 0.0 108.991 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB1' ' CE2' ' A' ' 26' ' ' TYR . . . -66.61 -44.9 80.83 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.332 -0.855 . . . . 0.0 110.221 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.605 ' HZ2' ' CB ' ' A' ' 135' ' ' TRP . 16.6 tttp -63.52 -48.34 77.94 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.973 -1.079 . . . . 0.0 111.215 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.085 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -65.25 -38.66 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.67 -1.269 . . . . 0.0 109.206 -178.816 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 1.085 ' N ' HD13 ' A' ' 91' ' ' ILE . 45.0 t80 -63.34 -43.46 97.65 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.6 mtp -70.42 -42.6 71.4 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.598 -0.689 . . . . 0.0 109.65 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -61.58 -39.03 89.69 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.723 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -60.85 -45.74 93.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.378 -0.826 . . . . 0.0 109.679 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.756 ' CE2' HD11 ' A' ' 100' ' ' LEU . 75.0 t80 -65.29 -47.2 77.45 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.275 -0.891 . . . . 0.0 109.824 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.1 p -60.99 -40.17 92.44 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.251 -0.906 . . . . 0.0 109.748 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.1 ttp -60.36 -40.14 89.69 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.179 -0.95 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.0 p -64.93 -36.25 83.77 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.315 -0.866 . . . . 0.0 109.654 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.756 HD11 ' CE2' ' A' ' 96' ' ' PHE . 87.4 mt -66.82 -40.3 87.99 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.152 -0.967 . . . . 0.0 109.827 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.43 ' OH ' ' CD2' ' A' ' 153' ' ' TYR . 78.1 t80 -61.42 -48.71 79.96 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.961 -1.087 . . . . 0.0 109.681 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -67.67 -45.74 74.35 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.31 -0.869 . . . . 0.0 110.519 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -65.13 -46.79 79.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.124 -0.985 . . . . 0.0 110.422 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -65.35 -37.1 86.03 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.017 -1.052 . . . . 0.0 109.312 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.7 tp -55.96 -50.51 70.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 0.0 109.499 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -62.14 -39.26 91.98 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.113 -0.992 . . . . 0.0 110.101 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.597 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.2 mt-30 -60.42 -40.48 91.17 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.146 -0.971 . . . . 0.0 109.963 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.412 ' HB3' ' HE1' ' A' ' 113' ' ' TRP . 85.0 mt -66.42 -37.79 86.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.959 -1.088 . . . . 0.0 109.41 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -75.94 -52.74 9.63 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.373 -0.83 . . . . 0.0 110.313 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -86.12 -22.88 26.85 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.362 -0.836 . . . . 0.0 110.612 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -101.45 155.18 18.98 Favored Glycine 0 N--CA 1.494 2.532 0 C-N-CA 119.666 -1.254 . . . . 0.0 110.272 -179.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -69.28 154.37 69.73 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.942 2.428 . . . . 0.0 112.054 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.422 ' CZ3' HG21 ' A' ' 166' ' ' ILE . 26.4 m-90 -92.81 123.92 36.43 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.099 -1.001 . . . . 0.0 109.631 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -134.43 164.37 27.6 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.298 -0.876 . . . . 0.0 108.979 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.419 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.2 m -62.16 -33.1 56.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.073 -1.017 . . . . 0.0 109.146 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.419 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.6 mtm -60.48 -42.86 97.13 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.386 -0.821 . . . . 0.0 109.443 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.55 -37.56 87.06 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.329 -0.857 . . . . 0.0 109.375 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.563 ' HE3' HD13 ' A' ' 161' ' ' LEU . 49.5 mttp -57.97 -44.42 87.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.285 -0.884 . . . . 0.0 109.031 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -62.67 -38.7 91.36 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.401 -0.812 . . . . 0.0 109.186 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.1 m -61.82 -40.02 93.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.346 -0.846 . . . . 0.0 109.665 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.42 -41.29 96.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.219 -0.926 . . . . 0.0 109.601 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.7 ' CE2' HD13 ' A' ' 158' ' ' LEU . 63.0 m95 -60.83 -39.5 89.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.098 -1.001 . . . . 0.0 109.583 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.42 ' SG ' ' CZ ' ' A' ' 7' ' ' ARG . 73.9 m -62.33 -43.9 97.75 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.115 -0.99 . . . . 0.0 108.909 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 75.1 m -58.96 -45.4 90.6 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.233 -0.917 . . . . 0.0 109.026 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 95.4 mt -60.61 -36.86 73.14 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 O-C-N 121.331 -0.855 . . . . 0.0 109.261 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -58.6 -41.63 86.27 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.278 -0.889 . . . . 0.0 109.014 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.445 HD12 ' N ' ' A' ' 127' ' ' LEU . 7.6 mp -63.25 -42.62 99.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.112 -0.993 . . . . 0.0 109.099 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -64.66 -42.49 95.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.15 -0.968 . . . . 0.0 109.394 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.8 p -65.71 -35.44 80.77 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.292 -0.88 . . . . 0.0 109.657 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -49.88 53.97 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.114 -0.991 . . . . 0.0 109.509 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.568 HG23 ' CE3' ' A' ' 135' ' ' TRP . 77.9 mt -66.84 -45.33 87.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.382 -0.824 . . . . 0.0 109.461 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 16.8 tp -60.71 -41.45 95.24 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.315 -0.865 . . . . 0.0 110.202 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -66.95 -49.55 65.13 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.14 -0.975 . . . . 0.0 111.088 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.65 -46.27 83.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.966 -1.084 . . . . 0.0 110.635 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.605 ' CB ' ' HZ2' ' A' ' 90' ' ' LYS . 5.0 m-90 -87.49 4.94 41.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.168 -0.957 . . . . 0.0 110.479 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -43.18 36.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.047 -1.033 . . . . 0.0 109.893 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.39 -21.71 64.68 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.213 -0.93 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 135' ' ' TRP . 15.9 m120 -89.57 -4.76 57.72 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.267 -0.895 . . . . 0.0 110.447 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.1 mt -111.72 143.86 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.88 . . . . 0.0 109.856 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.498 ' N ' ' OG ' ' A' ' 143' ' ' SER . 54.6 p -77.73 155.71 31.07 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.4 -0.812 . . . . 0.0 109.517 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.23 -43.16 87.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.21 -0.931 . . . . 0.0 109.835 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 31.0 m -69.89 -43.93 70.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.837 -1.164 . . . . 0.0 108.629 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' A' ' 140' ' ' SER . 79.9 p -60.3 -32.89 71.64 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.26 -38.81 91.47 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 178.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -56.49 -42.82 78.96 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.495 -0.753 . . . . 0.0 109.145 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.3 t -62.53 -51.11 68.71 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.431 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 52.5 mt -64.42 -40.98 96.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.285 -0.884 . . . . 0.0 108.899 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.805 HE21 ' CA ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -65.75 -33.25 75.43 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.19 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.98 -45.1 93.83 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.399 -0.813 . . . . 0.0 109.135 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -62.84 -41.95 99.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.177 -0.952 . . . . 0.0 108.64 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.9 -38.55 80.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -58.35 -40.34 81.96 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.459 ' HA ' HD12 ' A' ' 156' ' ' ILE . 71.4 t80 -58.33 -43.2 88.13 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 97.7 m -64.66 -50.15 68.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.376 -0.827 . . . . 0.0 108.836 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -60.65 -36.03 77.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.291 -0.881 . . . . 0.0 108.857 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 153' ' ' TYR . 17.2 mt -58.52 -43.76 87.7 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 O-C-N 121.398 -0.814 . . . . 0.0 109.731 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.28 -43.75 97.03 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.256 -0.903 . . . . 0.0 109.489 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.7 HD13 ' CE2' ' A' ' 122' ' ' TRP . 80.9 mt -59.95 -38.94 83.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.175 -0.953 . . . . 0.0 109.627 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.0 m -63.16 -43.84 97.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.119 -0.988 . . . . 0.0 109.948 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -62.07 -39.45 92.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.124 -0.985 . . . . 0.0 109.601 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.563 HD13 ' HE3' ' A' ' 118' ' ' LYS . 99.0 mt -63.05 -36.65 84.28 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.178 -0.951 . . . . 0.0 109.083 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.11 -37.44 87.46 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.27 -0.894 . . . . 0.0 109.133 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -82.88 -7.74 59.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.253 -0.905 . . . . 0.0 109.317 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.84 5.84 73.4 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.659 -1.377 . . . . 0.0 109.659 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.56 144.81 25.28 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.269 -1.136 . . . . 0.0 109.752 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.422 HG21 ' CZ3' ' A' ' 113' ' ' TRP . 35.3 mm . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.511 -0.743 . . . . 0.0 109.383 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.485 1.306 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.69 -41.25 94.76 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.274 -0.891 . . . . 0.0 108.947 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -62.27 -40.18 95.36 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.342 -0.849 . . . . 0.0 109.313 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 195' ' ' LEU . . . . . 0.559 HD11 HD23 ' A' ' 53' ' ' LEU . 22.1 tp -58.04 -42.44 85.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.362 -0.836 . . . . 0.0 109.213 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.67 90.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.258 -0.901 . . . . 0.0 109.228 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -65.32 -35.57 81.38 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.226 -0.922 . . . . 0.0 109.251 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 198' ' ' ARG . . . . . 0.527 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 73.2 ttt180 -60.58 -42.82 97.44 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.254 -0.904 . . . . 0.0 109.089 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 199' ' ' LEU . . . . . 0.541 HD22 HG21 ' A' ' 32' ' ' VAL . 6.4 tp -61.86 -45.3 94.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 0.0 109.076 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -60.91 -37.08 81.0 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.334 -0.854 . . . . 0.0 109.221 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.96 -37.53 86.23 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.269 -0.895 . . . . 0.0 108.857 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 202' ' ' LEU . . . . . 0.571 ' CD2' HG21 ' A' ' 56' ' ' ILE . 9.6 tp -60.98 -38.49 86.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.356 -0.84 . . . . 0.0 109.067 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -87.59 -8.49 56.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.26 -0.9 . . . . 0.0 109.482 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 117.995 -1.447 . . . . 0.0 109.532 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mtp . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.345 0.593 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.501 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . . . -59.2 -39.88 84.02 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.135 -0.978 . . . . 0.0 109.178 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.7 p -64.03 -37.93 89.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.286 -0.884 . . . . 0.0 109.101 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -58.59 -39.35 80.12 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.936 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.53 -39.68 94.21 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.25 -42.97 96.43 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.475 -0.766 . . . . 0.0 109.379 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.426 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.44 -41.29 93.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.168 -0.958 . . . . 0.0 108.803 179.565 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.527 ' CG1' HD13 ' A' ' 27' ' ' LEU . 46.8 t -63.86 -38.16 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.402 -0.811 . . . . 0.0 109.676 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.45 -39.79 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.219 -0.926 . . . . 0.0 108.695 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.46 94.91 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.347 -0.845 . . . . 0.0 108.848 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -33.75 72.11 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.657 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -57.27 -44.96 84.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.219 -0.926 . . . . 0.0 108.65 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -64.01 -41.16 97.56 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.432 -0.792 . . . . 0.0 109.224 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -59.73 -43.56 94.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.332 -0.855 . . . . 0.0 109.767 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.89 -41.28 97.7 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.349 -0.844 . . . . 0.0 109.587 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.492 ' OD2' ' OE1' ' A' ' 62' ' ' GLU . 55.4 t0 -58.92 -37.96 77.86 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.14 -0.975 . . . . 0.0 108.887 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -60.67 -31.0 70.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.44 -0.787 . . . . 0.0 109.204 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 18' ' ' VAL . 45.9 t -84.24 -2.49 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.325 -0.859 . . . . 0.0 109.573 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.3 8.36 68.55 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.4 mt -95.86 33.62 1.65 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.508 -0.995 . . . . 0.0 109.041 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.71 -31.8 16.33 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.4 mm -58.69 -49.06 83.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 121.112 -1.228 . . . . 0.0 109.396 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.6 mm -64.45 -45.14 96.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.21 -0.932 . . . . 0.0 109.011 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.591 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.11 -36.56 89.09 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.752 ' CE2' HD11 ' A' ' 29' ' ' LEU . 69.2 t80 -64.79 -48.0 76.04 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.379 -1.071 . . . . 0.0 111.086 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.6 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 78.9 t80 -62.84 -47.43 83.44 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.968 -1.083 . . . . 0.0 111.172 -178.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.657 HD11 ' HB2' ' A' ' 12' ' ' ALA . 3.7 pp -65.19 -32.08 73.57 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.769 -1.207 . . . . 0.0 108.866 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.681 ' OE1' HD11 ' A' ' 52' ' ' LEU . 7.8 tp-100 -60.13 -40.98 91.65 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 178.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.752 HD11 ' CE2' ' A' ' 25' ' ' TYR . 96.8 mt -60.71 -37.34 81.38 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.579 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 79.7 t80 -65.26 -36.19 83.34 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.36 -0.838 . . . . 0.0 109.094 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.96 -46.01 92.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.275 -0.89 . . . . 0.0 110.21 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -64.86 -41.96 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 120.81 -1.181 . . . . 0.0 108.861 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.41 -35.28 77.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.898 -1.126 . . . . 0.0 108.81 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.936 HD23 ' HB2' ' A' ' 5' ' ' ALA . 28.9 tp -63.86 -42.13 97.61 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.421 -0.799 . . . . 0.0 109.786 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.44 -48.1 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.17 -0.956 . . . . 0.0 109.833 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.5 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.6 mp -64.4 -34.55 78.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.363 -0.836 . . . . 0.0 109.266 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.8 m -83.55 -0.16 49.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.228 -0.92 . . . . 0.0 108.767 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -89.19 150.25 22.76 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.606 -0.684 . . . . 0.0 109.629 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.67 150.52 15.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.32 -0.863 . . . . 0.0 109.171 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -57.84 136.09 56.94 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.921 . . . . 0.0 109.967 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.501 ' NH1' ' HB3' ' A' ' 2' ' ' ALA . 76.5 mtp180 -122.54 169.9 10.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.702 -0.624 . . . . 0.0 109.421 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.2 t -58.07 171.32 0.55 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.239 -0.913 . . . . 0.0 109.901 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -56.54 -27.71 58.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.517 -0.739 . . . . 0.0 110.571 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.41 -40.13 49.22 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.745 -1.222 . . . . 0.0 109.444 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.574 ' O ' ' SD ' ' A' ' 45' ' ' MET . 10.7 tmm? -64.53 -37.32 87.14 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.177 -0.952 . . . . 0.0 109.353 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 p -60.53 -38.52 84.7 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.236 -0.915 . . . . 0.0 109.163 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.62 94.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.239 -0.913 . . . . 0.0 108.704 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.02 -35.79 81.86 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.351 -0.843 . . . . 0.0 109.211 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.73 99.45 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.216 -0.927 . . . . 0.0 109.183 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -61.27 -42.63 98.96 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.216 -0.928 . . . . 0.0 109.015 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.27 -39.12 91.88 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.244 -0.91 . . . . 0.0 108.967 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.681 HD11 ' OE1' ' A' ' 28' ' ' GLN . 30.7 tp -58.75 -41.61 86.94 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.319 -0.863 . . . . 0.0 109.121 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.461 HD22 HD11 ' B' ' 195' ' ' LEU . 32.3 tp -61.15 -41.57 96.99 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.889 . . . . 0.0 108.781 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -61.06 -39.37 89.59 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.554 ' O ' ' N ' ' A' ' 59' ' ' PHE . 44.2 m -60.17 -40.65 90.71 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.645 -0.659 . . . . 0.0 109.821 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.548 HG21 ' CD2' ' B' ' 202' ' ' LEU . 83.9 mt -60.99 -55.23 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.194 -0.942 . . . . 0.0 109.551 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.25 -39.13 92.25 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.185 -0.947 . . . . 0.0 108.631 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.7 -30.33 67.95 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 55' ' ' THR . 2.0 t80 -60.29 -54.42 45.97 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.306 -0.871 . . . . 0.0 109.347 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.76 ' NZ ' HG21 ' A' ' 83' ' ' ILE . 31.2 mttt -60.2 -45.97 91.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.135 -0.978 . . . . 0.0 109.447 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -83.56 -1.77 54.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.343 -0.848 . . . . 0.0 110.816 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.6 tt0 -48.9 -36.42 17.12 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.935 -1.103 . . . . 0.0 109.81 -178.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.614 HG21 ' HG2' ' A' ' 68' ' ' GLU . 74.3 mt -71.57 -37.62 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.062 -1.024 . . . . 0.0 109.383 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.0 -6.34 35.27 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.19 -5.4 85.19 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -67.93 -47.33 69.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.149 -1.207 . . . . 0.0 109.263 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.7 t -69.39 -42.42 75.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.585 -0.697 . . . . 0.0 109.554 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.614 ' HG2' HG21 ' A' ' 63' ' ' ILE . 78.8 mm-40 -65.23 -34.88 79.42 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.406 -0.809 . . . . 0.0 109.14 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.566 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . 11.06 -76.21 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.202 0 CA-C-O 121.4 0.619 . . . . 0.0 111.711 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.601 ' N ' ' O ' ' A' ' 68' ' ' GLU . 71.9 mm-40 -57.34 135.76 56.53 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.365 -0.834 . . . . 0.0 109.158 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 47.84 45.5 18.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.047 -1.033 . . . . 0.0 108.909 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -57.4 -39.26 75.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.407 -0.808 . . . . 0.0 110.31 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -59.63 -44.17 93.57 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.042 -1.036 . . . . 0.0 109.593 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -62.39 -40.18 95.63 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.262 -0.899 . . . . 0.0 109.324 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -60.97 -41.67 96.84 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.306 -0.871 . . . . 0.0 109.881 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.72 -38.81 89.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.151 -0.968 . . . . 0.0 108.916 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.484 ' O ' ' OG1' ' A' ' 81' ' ' THR . 24.5 t-80 -61.19 -43.51 98.76 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.407 -0.808 . . . . 0.0 109.683 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.19 -49.05 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.205 -0.934 . . . . 0.0 110.028 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.457 ' O ' HD12 ' A' ' 83' ' ' ILE . 70.9 mtm -66.95 -46.01 76.04 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.994 -1.066 . . . . 0.0 109.812 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.583 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 88.5 m-20 -70.03 -44.17 69.81 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.144 -0.973 . . . . 0.0 110.84 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 61.6 m -64.18 -49.09 73.44 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.102 -0.999 . . . . 0.0 111.852 -178.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.435 HD23 ' HG2' ' A' ' 88' ' ' LYS . 69.1 mt -71.63 -34.3 69.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.781 -1.2 . . . . 0.0 110.853 -178.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.76 HG21 ' NZ ' ' A' ' 60' ' ' LYS . 86.3 mt -79.46 -42.1 22.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 O-C-N 121.01 -1.056 . . . . 0.0 111.239 -178.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.583 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 43.0 m80 -67.97 -44.99 75.42 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.961 -1.087 . . . . 0.0 111.506 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -80.09 109.41 14.52 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.755 -1.216 . . . . 0.0 110.271 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.494 ' CG ' ' N ' ' A' ' 87' ' ' GLU . 9.9 pt20 -62.57 -41.88 99.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.6 -0.687 . . . . 0.0 110.721 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' CG ' ' A' ' 86' ' ' GLN . 77.7 mm-40 -64.54 -40.23 95.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.134 -0.979 . . . . 0.0 109.483 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.435 ' HG2' HD23 ' A' ' 82' ' ' LEU . 6.4 tptm -60.69 -30.89 70.21 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.87 -42.51 69.98 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.452 -0.78 . . . . 0.0 109.015 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -63.18 -48.77 76.98 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.992 -1.067 . . . . 0.0 110.411 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.716 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -64.15 -40.07 87.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 120.989 -1.07 . . . . 0.0 108.423 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.716 ' N ' HD12 ' A' ' 91' ' ' ILE . 62.4 t80 -66.99 -46.98 72.91 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.6 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 70.0 mtm -68.38 -38.92 81.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.368 -0.833 . . . . 0.0 109.814 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 94' ' ' LEU . 38.1 tp -60.61 -41.42 94.74 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.015 -1.053 . . . . 0.0 108.956 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -63.75 -43.47 96.35 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.349 -0.844 . . . . 0.0 109.202 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.543 ' HE2' HD22 ' A' ' 100' ' ' LEU . 67.6 t80 -63.61 -43.19 97.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.53 -0.731 . . . . 0.0 109.641 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.742 HG22 HD23 ' A' ' 127' ' ' LEU . 50.4 p -62.08 -43.82 98.0 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.234 -0.916 . . . . 0.0 109.784 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 95.9 mmm -64.46 -43.1 95.28 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.219 -0.925 . . . . 0.0 109.242 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.8 t -70.6 -42.45 70.98 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.353 -0.842 . . . . 0.0 109.656 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.559 HD23 ' SG ' ' A' ' 124' ' ' CYS . 31.6 tp -64.7 -40.45 95.39 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.368 -0.832 . . . . 0.0 109.689 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.661 ' CE2' HD11 ' A' ' 105' ' ' LEU . 80.0 t80 -63.0 -44.15 96.81 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.265 -0.897 . . . . 0.0 109.798 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -58.88 -42.1 88.7 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.328 -0.857 . . . . 0.0 109.763 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.45 -38.38 89.56 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.283 -0.886 . . . . 0.0 109.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -63.31 -42.23 99.0 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.215 -0.928 . . . . 0.0 109.668 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.661 HD11 ' CE2' ' A' ' 101' ' ' TYR . 80.9 mt -57.13 -45.68 83.32 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.092 -1.005 . . . . 0.0 109.03 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -61.01 -39.24 88.96 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.227 -0.92 . . . . 0.0 109.293 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 111' ' ' GLY . 59.2 tp60 -62.63 -41.2 98.89 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.436 -0.79 . . . . 0.0 109.821 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.945 HD13 ' CE2' ' A' ' 157' ' ' TYR . 88.8 mt -64.39 -37.6 88.08 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.009 -1.057 . . . . 0.0 109.927 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -77.85 -52.82 8.28 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.314 -0.866 . . . . 0.0 110.812 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -94.8 -22.72 17.88 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.301 -0.874 . . . . 0.0 110.72 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -94.24 153.11 20.95 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 119.514 -1.327 . . . . 0.0 110.232 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -70.34 154.23 65.62 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.844 2.363 . . . . 0.0 111.944 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.491 ' CZ2' HG21 ' A' ' 166' ' ' ILE . 23.1 m-90 -90.41 121.97 32.86 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.117 -0.989 . . . . 0.0 109.657 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.5 m-20 -134.7 164.51 27.35 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.302 -0.874 . . . . 0.0 109.348 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.405 HG13 ' H ' ' A' ' 115' ' ' VAL . 2.8 m -63.93 -31.65 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.297 -0.877 . . . . 0.0 109.108 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.8 mtm -59.41 -40.11 85.61 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.416 -0.803 . . . . 0.0 109.683 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.11 -37.92 89.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.096 -1.002 . . . . 0.0 109.237 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -61.25 -41.7 97.37 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.257 -0.902 . . . . 0.0 109.397 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -62.17 -43.01 99.78 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.314 -0.866 . . . . 0.0 109.509 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 t -63.99 -37.43 87.4 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.355 -0.841 . . . . 0.0 109.412 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -60.47 -42.5 96.35 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.378 -0.826 . . . . 0.0 109.037 -179.761 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -63.63 -40.21 96.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.135 -0.978 . . . . 0.0 109.411 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.547 ' SG ' ' N ' ' A' ' 124' ' ' CYS . 0.1 OUTLIER -65.56 -41.03 93.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.946 . . . . 0.0 109.429 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.559 ' SG ' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -62.04 -49.34 76.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.191 -0.943 . . . . 0.0 109.749 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.58 -41.71 88.9 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 O-C-N 121.09 -1.006 . . . . 0.0 109.533 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.562 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.7 m-20 -59.51 -39.55 84.2 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.286 -0.884 . . . . 0.0 109.582 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.742 HD23 HG22 ' A' ' 97' ' ' THR . 53.2 tp -62.54 -46.92 86.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.249 -0.907 . . . . 0.0 109.621 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -71.74 -43.68 65.41 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.318 -0.864 . . . . 0.0 109.699 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.594 ' OG ' ' CE1' ' A' ' 133' ' ' HIS . 11.2 t -64.84 -40.08 94.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.416 -0.803 . . . . 0.0 110.343 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.579 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 77.4 m -66.04 -49.85 66.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.081 -1.012 . . . . 0.0 110.307 -179.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.401 HG12 ' CZ ' ' A' ' 26' ' ' TYR . 73.1 mt -60.16 -46.44 94.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.11 -0.994 . . . . 0.0 109.499 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 136' ' ' LYS . 23.0 tp -61.53 -37.45 83.8 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.509 -0.745 . . . . 0.0 109.481 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.594 ' CE1' ' OG ' ' A' ' 129' ' ' SER . 63.6 m170 -57.82 -47.99 81.03 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.299 -0.875 . . . . 0.0 110.226 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.06 -47.19 84.03 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.053 -1.029 . . . . 0.0 109.938 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.452 ' CH2' ' NE2' ' A' ' 86' ' ' GLN . 23.2 m95 -88.94 4.36 48.31 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.41 -0.806 . . . . 0.0 110.589 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 132' ' ' LEU . 1.9 tptp -52.79 -35.36 56.55 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.165 -0.959 . . . . 0.0 109.477 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -63.09 -25.7 68.49 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.166 -0.959 . . . . 0.0 109.286 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -89.55 -1.39 58.02 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.248 -0.907 . . . . 0.0 110.054 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.8 mm -102.76 139.48 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.148 -0.97 . . . . 0.0 109.535 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 53.8 p -77.86 155.45 30.99 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.329 -0.857 . . . . 0.0 108.952 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.99 -43.89 70.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.08 -1.013 . . . . 0.0 109.749 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 29.3 m -69.94 -43.5 71.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.909 -1.119 . . . . 0.0 109.439 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.8 m -58.92 -40.5 84.72 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -38.66 87.88 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -56.7 -41.99 78.35 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.506 -0.746 . . . . 0.0 109.452 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.1 m -62.55 -51.1 68.73 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.236 -0.915 . . . . 0.0 109.591 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 147' ' ' LEU . 9.7 mp -66.21 -42.57 88.57 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.171 -0.955 . . . . 0.0 109.048 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.778 ' HA ' HE21 ' A' ' 148' ' ' GLN . 0.0 OUTLIER -63.01 -35.24 79.56 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.319 -0.863 . . . . 0.0 108.735 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -59.51 -43.46 93.38 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -60.34 -39.6 87.68 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.278 -0.889 . . . . 0.0 108.933 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 36.5 mm -61.29 -42.44 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.302 -0.874 . . . . 0.0 109.163 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -58.7 -37.99 77.29 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.176 -0.953 . . . . 0.0 109.111 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -60.83 -43.02 98.81 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.218 -0.926 . . . . 0.0 108.875 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' CYS . . . . . 0.655 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 33.4 m -67.57 -50.65 57.43 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.341 -0.85 . . . . 0.0 109.043 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -63.45 -35.96 82.16 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.401 -0.812 . . . . 0.0 109.532 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 10.9 mt -58.7 -48.75 84.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 O-C-N 121.27 -0.894 . . . . 0.0 110.045 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.945 ' CE2' HD13 ' A' ' 108' ' ' LEU . 68.8 t80 -63.94 -41.18 97.68 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.03 -1.044 . . . . 0.0 108.351 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 39.4 tp -59.01 -41.17 87.09 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.599 -0.688 . . . . 0.0 109.505 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.6 m -61.9 -40.96 97.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.155 -0.965 . . . . 0.0 109.187 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -61.58 -38.67 88.39 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.358 -0.839 . . . . 0.0 109.387 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.514 HD11 ' HE2' ' A' ' 157' ' ' TYR . 54.4 mt -63.03 -36.69 84.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.035 -1.041 . . . . 0.0 108.641 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.58 83.08 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.357 -0.84 . . . . 0.0 108.952 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -81.55 -11.99 58.97 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.339 -0.85 . . . . 0.0 109.371 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.14 1.13 72.95 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -94.76 141.94 28.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.275 -1.132 . . . . 0.0 109.758 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.491 HG21 ' CZ2' ' A' ' 113' ' ' TRP . 34.2 mm . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.408 -0.808 . . . . 0.0 109.321 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.94 -40.07 94.26 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.221 -0.924 . . . . 0.0 109.058 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -60.89 -43.09 98.97 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 109.44 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 195' ' ' LEU . . . . . 0.461 HD11 HD22 ' A' ' 53' ' ' LEU . 42.9 tp -60.13 -40.41 89.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.292 -0.88 . . . . 0.0 109.455 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.06 94.87 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.227 -0.92 . . . . 0.0 109.032 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -64.95 -34.93 79.6 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.351 -0.843 . . . . 0.0 109.132 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -60.2 -44.12 95.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.25 -0.906 . . . . 0.0 109.132 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 3.3 tp -62.46 -42.4 99.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.263 -0.898 . . . . 0.0 108.96 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -59.0 -36.33 74.72 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.391 -0.818 . . . . 0.0 109.047 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.27 85.96 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 202' ' ' LEU . . . . . 0.548 ' CD2' HG21 ' A' ' 56' ' ' ILE . 13.2 tp -59.97 -38.98 84.09 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.41 -0.806 . . . . 0.0 108.878 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 203' ' ' ARG . . . . . 0.427 ' HD3' HD22 ' A' ' 29' ' ' LEU . 59.9 mtm180 -87.72 -8.23 56.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.368 -0.833 . . . . 0.0 109.493 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.278 0.561 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.51 ' HB2' ' NE ' ' A' ' 41' ' ' ARG . . . -59.17 -40.45 85.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.19 -0.944 . . . . 0.0 109.206 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -63.44 -38.51 91.43 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.207 -0.933 . . . . 0.0 109.035 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -57.34 -40.04 77.15 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.16 -0.963 . . . . 0.0 108.411 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.986 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.52 -39.66 94.2 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.73 88.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.433 -0.792 . . . . 0.0 109.646 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.403 HH12 ' HD3' ' A' ' 119' ' ' ARG . 10.8 tpt180 -60.62 -39.7 89.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.066 -1.021 . . . . 0.0 109.323 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.705 ' CG1' HD13 ' A' ' 27' ' ' LEU . 56.0 t -62.01 -39.72 84.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.279 -0.888 . . . . 0.0 109.442 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.93 -41.62 89.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.167 -0.958 . . . . 0.0 108.492 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.15 80.12 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.336 -0.852 . . . . 0.0 109.056 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -35.37 80.87 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.468 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -59.64 -42.47 92.8 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.174 -0.954 . . . . 0.0 108.879 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -60.89 -39.31 88.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.341 -0.849 . . . . 0.0 108.732 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -58.06 -41.16 82.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.286 -0.884 . . . . 0.0 109.175 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -62.91 -39.62 95.09 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.331 -0.856 . . . . 0.0 109.365 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -58.22 -39.62 79.52 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.153 -0.967 . . . . 0.0 108.576 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -61.69 -31.11 71.23 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -83.98 -14.17 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.412 -0.805 . . . . 0.0 109.322 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' C ' HD22 ' A' ' 20' ' ' LEU . . . 89.41 14.99 59.29 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.512 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 3.3 mm? -95.68 54.25 1.52 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.288 -1.124 . . . . 0.0 108.89 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.01 -27.82 62.83 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.349 -1.1 . . . . 0.0 110.349 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.3 mm -58.07 -49.19 82.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.012 -1.287 . . . . 0.0 109.364 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 mm -63.53 -41.77 93.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.79 -40.87 97.24 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.721 ' CE2' HD11 ' A' ' 29' ' ' LEU . 62.8 t80 -60.62 -48.39 82.0 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.055 -1.262 . . . . 0.0 110.544 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.655 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 48.1 t80 -66.87 -46.92 73.48 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.947 -1.096 . . . . 0.0 110.873 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.715 HD12 ' C ' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -68.41 -36.44 79.11 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.061 -1.024 . . . . 0.0 110.319 -178.733 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.412 ' N ' HD12 ' A' ' 27' ' ' LEU . 19.0 mt-30 -60.94 -40.4 93.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.65 -1.281 . . . . 0.0 108.802 178.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.721 HD11 ' CE2' ' A' ' 25' ' ' TYR . 80.2 mt -62.32 -38.75 90.64 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.607 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 72.8 t80 -65.83 -35.99 82.24 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.309 -0.869 . . . . 0.0 109.227 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.54 -45.79 92.69 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.279 -0.888 . . . . 0.0 110.368 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.697 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -64.7 -41.99 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.838 -1.164 . . . . 0.0 108.936 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.93 -35.33 78.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.99 -1.069 . . . . 0.0 109.003 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.986 HD23 ' HB2' ' A' ' 5' ' ' ALA . 36.1 tp -63.43 -42.96 98.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.348 -0.845 . . . . 0.0 110.022 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.65 -48.16 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.021 -1.05 . . . . 0.0 109.821 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.517 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.0 mp -66.26 -36.48 83.11 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.255 -0.903 . . . . 0.0 109.541 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.7 p -72.81 -20.77 61.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.16 -0.963 . . . . 0.0 108.514 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.62 ' CD ' ' HE ' ' A' ' 41' ' ' ARG . 82.0 tt0 -85.43 151.31 24.09 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -55.76 150.34 12.99 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.279 -0.888 . . . . 0.0 109.44 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.512 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 47.5 p30 -58.09 136.7 57.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.319 -0.863 . . . . 0.0 110.498 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.62 ' HE ' ' CD ' ' A' ' 38' ' ' GLU . 95.8 mtt-85 -122.89 171.14 9.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.724 -0.61 . . . . 0.0 109.58 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.0 p -57.42 169.4 0.64 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.322 -0.861 . . . . 0.0 110.472 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -56.54 -24.47 47.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.773 -0.579 . . . . 0.0 111.248 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -48.5 -44.26 35.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.635 -1.291 . . . . 0.0 109.527 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -34.37 77.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.918 -1.113 . . . . 0.0 108.982 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.5 m -59.3 -41.47 89.07 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.291 -0.88 . . . . 0.0 109.113 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.67 -43.81 88.17 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.188 -0.945 . . . . 0.0 108.806 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.02 -39.32 89.31 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.41 -0.807 . . . . 0.0 109.069 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.18 90.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.367 -0.833 . . . . 0.0 109.15 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.8 m -60.76 -42.31 97.18 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.332 -0.855 . . . . 0.0 109.105 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.7 -39.73 92.51 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.219 -0.926 . . . . 0.0 109.004 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.57 -40.42 91.62 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.305 -0.872 . . . . 0.0 109.082 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.669 HD22 HD11 ' B' ' 195' ' ' LEU . 45.2 tp -60.69 -40.74 93.28 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.284 -0.885 . . . . 0.0 109.069 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -59.65 -40.42 87.62 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.379 -0.826 . . . . 0.0 108.877 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.3 m -60.57 -43.23 97.54 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.635 -0.666 . . . . 0.0 109.692 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.407 HG21 HD22 ' B' ' 202' ' ' LEU . 83.1 mt -62.28 -54.86 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.127 -0.983 . . . . 0.0 109.33 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.65 -37.18 83.09 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.5 -33.65 75.53 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.404 -0.81 . . . . 0.0 108.909 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -59.0 -53.98 52.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.177 -0.952 . . . . 0.0 109.309 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -59.66 -39.04 83.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.188 -0.945 . . . . 0.0 108.923 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -82.33 -1.99 51.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.486 -0.759 . . . . 0.0 109.754 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.7 tt0 -49.08 -32.81 10.33 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.924 . . . . 0.0 110.258 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.928 HD11 ' SD ' ' A' ' 79' ' ' MET . 80.8 mt -67.42 -41.64 86.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.053 -1.029 . . . . 0.0 109.59 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.92 -4.11 11.05 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.446 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 94.46 -5.68 70.76 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -63.44 -47.05 83.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.076 -1.249 . . . . 0.0 109.183 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.488 ' O ' ' O ' ' A' ' 70' ' ' GLU . 18.6 m -68.91 -29.86 68.22 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -55.79 -28.92 58.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.604 -0.685 . . . . 0.0 109.484 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.28 96.54 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.999 -1.063 . . . . 0.0 109.953 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.5 mt-10 -134.47 146.03 49.38 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.313 -0.867 . . . . 0.0 109.879 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 49.81 40.23 19.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.251 -0.906 . . . . 0.0 109.228 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.6 p -63.21 -37.68 88.19 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.268 -0.895 . . . . 0.0 109.74 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.584 ' O ' ' CD2' ' A' ' 77' ' ' HIS . 89.9 m-20 -62.76 -41.29 99.16 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.183 -0.948 . . . . 0.0 109.598 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -61.74 -45.76 92.53 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.338 -0.851 . . . . 0.0 110.082 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.7 p -64.09 -41.85 97.15 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.144 -0.972 . . . . 0.0 109.785 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.475 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 98.2 mt -68.69 -37.74 79.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.262 -0.899 . . . . 0.0 110.049 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 50.5 m-70 -59.85 -45.67 91.7 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.112 -0.992 . . . . 0.0 110.3 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.15 -50.13 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.991 -1.068 . . . . 0.0 110.029 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.928 ' SD ' HD11 ' A' ' 63' ' ' ILE . 89.6 mtp -68.41 -46.29 70.36 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.171 -0.956 . . . . 0.0 110.401 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.593 ' OD1' ' CE1' ' A' ' 84' ' ' HIS . 27.9 t30 -65.62 -44.26 87.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.239 -0.913 . . . . 0.0 111.196 -178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 74.6 m -70.12 -49.18 53.38 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.08 -1.013 . . . . 0.0 112.094 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.69 -33.75 66.71 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.871 -1.143 . . . . 0.0 111.662 -177.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 79.8 mt -78.8 -42.18 24.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.939 -1.101 . . . . 0.0 111.291 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.593 ' CE1' ' OD1' ' A' ' 80' ' ' ASN . 80.2 m80 -75.3 -48.18 24.39 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.992 -1.067 . . . . 0.0 111.51 -178.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -84.42 111.03 19.09 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.789 -1.194 . . . . 0.0 110.394 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -62.02 -36.58 81.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.474 -0.766 . . . . 0.0 110.274 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.04 -41.08 86.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.192 -0.943 . . . . 0.0 109.667 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -62.47 -32.16 73.01 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.223 -0.923 . . . . 0.0 108.707 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.31 -44.59 64.84 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.365 -0.834 . . . . 0.0 110.053 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -63.51 -48.54 77.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.032 -1.042 . . . . 0.0 110.49 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -62.64 -41.32 91.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.049 -1.032 . . . . 0.0 108.586 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.698 ' N ' HD12 ' A' ' 91' ' ' ILE . 60.5 t80 -63.01 -46.37 87.96 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.655 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 83.2 mtp -68.74 -40.66 79.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.434 -0.791 . . . . 0.0 109.893 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.26 -40.54 90.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.149 -0.969 . . . . 0.0 108.82 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -62.38 -43.64 98.35 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.367 -0.833 . . . . 0.0 108.965 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.819 ' CE2' HD11 ' A' ' 100' ' ' LEU . 79.1 t80 -65.94 -48.25 71.97 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.496 -0.753 . . . . 0.0 109.635 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.744 HG22 HD23 ' A' ' 127' ' ' LEU . 38.3 p -62.47 -41.53 98.84 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.219 -0.926 . . . . 0.0 109.847 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.2 ttm -60.24 -41.04 92.32 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.275 -0.891 . . . . 0.0 109.038 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -62.4 -42.09 99.16 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.364 -0.835 . . . . 0.0 109.431 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.819 HD11 ' CE2' ' A' ' 96' ' ' PHE . 81.1 mt -68.25 -37.35 80.68 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.273 -0.892 . . . . 0.0 109.903 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.615 ' CE2' HD11 ' A' ' 105' ' ' LEU . 72.6 t80 -58.15 -48.27 80.78 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.884 -1.135 . . . . 0.0 109.524 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -67.43 -44.07 79.65 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.137 -0.977 . . . . 0.0 110.098 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.13 -43.93 90.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.353 -0.842 . . . . 0.0 110.905 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -62.37 -45.85 91.28 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.949 -1.094 . . . . 0.0 110.44 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.615 HD11 ' CE2' ' A' ' 101' ' ' TYR . 93.8 mt -56.53 -52.33 65.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.779 -1.201 . . . . 0.0 109.113 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -62.45 -36.34 82.11 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.126 -0.984 . . . . 0.0 109.177 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.6 ' O ' ' N ' ' A' ' 111' ' ' GLY . 10.3 tp-100 -60.35 -42.34 95.53 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.41 -0.806 . . . . 0.0 109.833 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.844 HD13 ' CE2' ' A' ' 157' ' ' TYR . 89.2 mt -64.97 -37.79 88.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.0 -1.063 . . . . 0.0 109.352 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -76.68 -52.85 8.86 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 110.411 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -87.06 -22.7 25.28 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.352 -0.843 . . . . 0.0 110.723 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -98.54 155.08 20.14 Favored Glycine 0 N--CA 1.493 2.441 0 C-N-CA 119.574 -1.298 . . . . 0.0 110.366 -179.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.0 154.21 67.01 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.926 2.417 . . . . 0.0 112.017 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.581 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 22.3 m-90 -94.77 116.16 28.4 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.173 -0.954 . . . . 0.0 109.743 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.9 m-20 -134.99 169.19 17.8 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.344 -0.848 . . . . 0.0 109.146 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.6 m -64.08 -32.62 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 O-C-N 121.178 -0.951 . . . . 0.0 109.443 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.401 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.5 mtm -60.12 -40.5 89.93 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.28 -0.888 . . . . 0.0 109.637 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.4 mm? -67.11 -38.19 85.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.263 -0.898 . . . . 0.0 109.487 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.496 ' HE2' HD23 ' A' ' 161' ' ' LEU . 89.2 mttt -58.43 -46.02 87.33 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.289 -0.882 . . . . 0.0 109.443 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.403 ' HD3' HH12 ' A' ' 7' ' ' ARG . 92.6 mtt180 -62.93 -38.94 93.02 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.297 -0.877 . . . . 0.0 109.67 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.9 m -62.02 -40.16 94.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.298 -0.876 . . . . 0.0 109.884 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.437 ' CD1' HD21 ' A' ' 158' ' ' LEU . 94.7 mt -64.79 -43.92 91.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.17 -0.956 . . . . 0.0 109.961 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.57 ' NE1' HD13 ' A' ' 158' ' ' LEU . 77.2 m95 -61.11 -37.65 83.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.963 -1.086 . . . . 0.0 109.614 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.618 ' SG ' ' N ' ' A' ' 124' ' ' CYS . 0.1 OUTLIER -69.0 -45.84 69.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.184 -0.948 . . . . 0.0 109.455 179.492 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.618 ' N ' ' SG ' ' A' ' 123' ' ' CYS . 89.6 m -65.42 -48.46 72.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.284 -0.885 . . . . 0.0 109.809 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.55 -42.38 91.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 O-C-N 121.125 -0.985 . . . . 0.0 109.421 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 122' ' ' TRP . 90.9 m-20 -59.93 -38.76 83.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.257 -0.902 . . . . 0.0 109.135 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.744 HD23 HG22 ' A' ' 97' ' ' THR . 42.7 tp -61.44 -42.09 98.21 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.356 -0.84 . . . . 0.0 109.436 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -64.94 -42.95 94.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.303 -0.873 . . . . 0.0 109.244 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.5 m -62.91 -37.82 88.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.415 -0.803 . . . . 0.0 109.936 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.607 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 74.4 m -62.46 -49.41 75.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.245 -0.909 . . . . 0.0 109.57 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.97 -46.55 96.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 121.185 -0.947 . . . . 0.0 109.272 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 136' ' ' LYS . 39.9 tp -63.39 -39.06 93.47 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.55 -0.719 . . . . 0.0 109.924 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -57.77 -49.45 76.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.151 -0.968 . . . . 0.0 110.098 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.4 tp -67.46 -43.02 82.08 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.052 -1.03 . . . . 0.0 109.8 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -87.29 1.7 52.44 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.285 -0.884 . . . . 0.0 110.657 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -53.08 -37.39 61.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.998 -1.063 . . . . 0.0 109.482 -179.8 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -62.87 -25.5 68.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.301 -0.875 . . . . 0.0 109.628 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -89.15 -2.93 58.73 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.21 -0.931 . . . . 0.0 110.044 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.4 mm -103.36 143.47 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.215 -0.928 . . . . 0.0 109.162 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 32.0 t -77.83 150.2 34.27 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.289 -0.882 . . . . 0.0 108.783 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.68 -41.25 85.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.121 -0.987 . . . . 0.0 109.893 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.0 m -70.35 -45.85 65.32 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.07 -1.019 . . . . 0.0 109.688 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 86.4 p -64.26 -39.94 94.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.259 -0.9 . . . . 0.0 109.175 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.95 -39.91 72.32 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.086 -1.009 . . . . 0.0 108.634 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -49.61 -45.63 48.35 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.5 m -63.64 -40.2 96.26 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.428 ' HA ' HH11 ' A' ' 150' ' ' ARG . 35.5 tp -65.68 -38.81 90.32 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.548 -0.72 . . . . 0.0 109.558 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.465 ' HA ' ' NE2' ' A' ' 148' ' ' GLN . 13.4 mm100 -58.82 -38.32 78.36 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -62.03 -41.75 98.44 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.554 -0.717 . . . . 0.0 109.63 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.428 HH11 ' HA ' ' A' ' 147' ' ' LEU . 80.3 mtt85 -58.37 -42.54 87.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.96 -1.087 . . . . 0.0 108.863 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 33.9 mm -64.91 -42.72 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -58.06 -38.3 76.05 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -58.51 -43.77 89.24 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 77.3 m -64.9 -50.36 66.85 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.274 -0.891 . . . . 0.0 108.868 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -60.1 -36.35 77.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.291 -0.88 . . . . 0.0 108.832 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 15.8 mt -58.76 -43.04 87.04 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 O-C-N 121.397 -0.814 . . . . 0.0 110.014 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.844 ' CE2' HD13 ' A' ' 108' ' ' LEU . 69.1 t80 -62.5 -42.51 99.55 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.299 -0.875 . . . . 0.0 108.901 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.57 HD13 ' NE1' ' A' ' 122' ' ' TRP . 72.1 mt -61.74 -40.1 93.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.92 . . . . 0.0 109.37 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.4 m -63.13 -41.46 99.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.222 -0.923 . . . . 0.0 109.882 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 165' ' ' GLU . 40.0 mtpt -61.62 -39.71 92.25 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.104 -0.997 . . . . 0.0 109.323 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.538 HD11 ' CE2' ' A' ' 157' ' ' TYR . 8.1 mp -65.15 -36.1 83.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.19 -0.944 . . . . 0.0 109.024 179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.1 -37.09 83.76 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.235 -0.916 . . . . 0.0 108.92 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -85.37 -4.41 59.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.383 -0.823 . . . . 0.0 109.274 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.56 -0.41 67.91 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 160' ' ' LYS . 95.5 mt-10 -94.77 147.1 23.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.193 -1.18 . . . . 0.0 109.786 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 37.5 mm . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.473 -0.767 . . . . 0.0 109.517 179.681 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.23 -41.36 96.73 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.284 -0.885 . . . . 0.0 109.087 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -62.02 -41.43 98.09 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.299 -0.876 . . . . 0.0 109.328 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 195' ' ' LEU . . . . . 0.669 HD11 HD22 ' A' ' 53' ' ' LEU . 13.9 tp -59.32 -40.74 87.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.325 -0.86 . . . . 0.0 109.226 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.77 94.81 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.166 -0.959 . . . . 0.0 109.372 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -65.06 -35.45 81.18 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.174 -0.954 . . . . 0.0 109.419 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 198' ' ' ARG . . . . . 0.538 ' HD3' HD21 ' A' ' 53' ' ' LEU . 74.8 ttt180 -62.64 -43.38 98.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.229 -0.919 . . . . 0.0 109.342 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 199' ' ' LEU . . . . . 0.697 HD22 HG21 ' A' ' 32' ' ' VAL . 4.1 tp -61.66 -43.74 98.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.307 -0.871 . . . . 0.0 109.21 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -60.89 -36.65 79.78 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.339 -0.851 . . . . 0.0 109.194 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.56 -37.46 86.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.193 -0.942 . . . . 0.0 108.784 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 202' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 56' ' ' ILE . 14.9 tp -60.63 -38.68 85.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.38 -0.825 . . . . 0.0 108.86 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -93.7 -1.21 55.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.311 -0.868 . . . . 0.0 109.409 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 118.054 -1.414 . . . . 0.0 109.574 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.415 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -59.14 -42.26 90.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.224 -0.922 . . . . 0.0 109.162 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -63.51 -37.65 88.12 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.193 -0.942 . . . . 0.0 108.981 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -57.09 -39.61 75.36 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.409 ' HB2' HD12 ' A' ' 34' ' ' LEU . . . -65.39 -40.18 93.16 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.18 99.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.361 -0.837 . . . . 0.0 109.196 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.592 ' O ' HG23 ' A' ' 11' ' ' THR . 10.3 tpp180 -60.44 -38.9 85.6 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.306 -0.871 . . . . 0.0 109.296 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.93 -40.62 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.296 -0.877 . . . . 0.0 109.242 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.61 -38.1 79.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 C-N-CA 119.474 -0.89 . . . . 0.0 109.192 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.68 96.7 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.203 -0.936 . . . . 0.0 108.966 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 7' ' ' ARG . 2.7 p -69.01 -35.39 76.6 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.309 -0.869 . . . . 0.0 108.918 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.36 -44.47 88.84 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.293 -0.879 . . . . 0.0 109.16 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -63.77 -42.35 97.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.282 -0.886 . . . . 0.0 109.161 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.59 -40.93 93.56 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.541 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.94 -41.62 98.17 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.339 -0.85 . . . . 0.0 109.374 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -58.68 -38.94 79.29 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.266 -0.896 . . . . 0.0 108.722 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -60.76 -30.56 70.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.475 -0.766 . . . . 0.0 109.253 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -83.44 -14.55 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.35 -0.844 . . . . 0.0 109.771 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.11 25.22 29.58 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.6 mt -95.36 54.7 1.65 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.218 -1.166 . . . . 0.0 109.01 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.0 -30.62 57.6 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.46 HG21 ' CD2' ' A' ' 92' ' ' TYR . 9.4 mm -58.61 -54.13 37.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.202 -1.175 . . . . 0.0 109.596 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.1 mm -64.87 -38.0 81.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.75 -45.45 94.82 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.749 ' CE2' HD11 ' A' ' 29' ' ' LEU . 64.2 t80 -60.73 -48.62 80.99 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.953 -1.322 . . . . 0.0 109.95 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.665 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 74.5 t80 -66.18 -43.56 86.5 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.152 -0.967 . . . . 0.0 110.5 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.743 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -69.05 -36.42 77.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.107 -0.996 . . . . 0.0 110.203 -179.017 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.401 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 91.2 mt-30 -61.73 -40.71 96.06 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.617 -1.302 . . . . 0.0 108.781 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.749 HD11 ' CE2' ' A' ' 25' ' ' TYR . 88.4 mt -61.52 -39.51 91.27 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.159 -0.963 . . . . 0.0 108.47 178.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.606 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 71.5 t80 -66.56 -36.29 82.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.152 -0.968 . . . . 0.0 109.077 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.94 86.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.271 -0.893 . . . . 0.0 109.955 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.08 -47.26 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.776 -1.202 . . . . 0.0 108.66 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' OE2' ' NH1' ' B' ' 203' ' ' ARG . 97.0 mt-10 -62.19 -33.8 75.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.007 -1.058 . . . . 0.0 108.71 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.714 HD13 ' C ' ' A' ' 34' ' ' LEU . 3.2 tm? -60.96 -45.8 93.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.484 -0.76 . . . . 0.0 109.518 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.1 mt -63.67 -46.45 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.143 -0.973 . . . . 0.0 109.806 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.1 mp -63.0 -36.23 82.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.302 -0.874 . . . . 0.0 109.326 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.2 p -72.68 -23.36 60.87 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' OE2' ' CZ ' ' A' ' 41' ' ' ARG . 83.5 tt0 -69.74 150.93 46.4 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.782 -0.574 . . . . 0.0 109.683 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.21 150.93 13.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.0 109.269 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -57.81 130.68 47.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.291 -0.881 . . . . 0.0 110.099 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.485 ' CZ ' ' OE2' ' A' ' 38' ' ' GLU . 10.9 mtt85 -122.09 170.87 9.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.747 -0.596 . . . . 0.0 109.582 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.7 m -57.39 168.07 0.85 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.321 -0.862 . . . . 0.0 110.647 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.682 ' OE1' HG21 ' A' ' 46' ' ' THR . 8.3 tp-100 -55.56 -25.45 38.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.817 -0.552 . . . . 0.0 110.776 -178.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -50.18 -39.98 45.52 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.866 -1.146 . . . . 0.0 109.298 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -35.11 79.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.046 -1.034 . . . . 0.0 109.02 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.682 HG21 ' OE1' ' A' ' 43' ' ' GLN . 41.1 m -59.34 -42.04 90.58 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.314 -0.866 . . . . 0.0 109.255 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.7 95.97 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.21 -0.931 . . . . 0.0 108.755 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.81 -39.03 87.42 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.239 -0.913 . . . . 0.0 108.957 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.41 87.27 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.326 -0.859 . . . . 0.0 109.642 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 46' ' ' THR . 71.3 p -62.97 -43.05 99.84 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.063 -1.023 . . . . 0.0 109.495 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.66 -40.63 92.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.323 -0.861 . . . . 0.0 108.869 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.3 -38.21 90.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.25 -0.906 . . . . 0.0 109.0 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.689 HD22 HD11 ' B' ' 195' ' ' LEU . 31.4 tp -59.33 -41.04 88.17 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.269 -0.894 . . . . 0.0 108.646 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -60.97 -39.64 90.34 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 59' ' ' PHE . 51.8 m -60.32 -39.05 85.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.698 -0.626 . . . . 0.0 109.816 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.633 HG21 HD22 ' B' ' 202' ' ' LEU . 31.7 mm -57.36 -53.05 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.114 -0.991 . . . . 0.0 109.224 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.5 -36.79 84.93 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.83 -32.47 73.04 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 55' ' ' THR . 87.2 t80 -60.01 -54.46 45.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.266 -0.896 . . . . 0.0 109.441 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -62.67 -42.89 99.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.108 -0.995 . . . . 0.0 109.395 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -82.79 -2.56 54.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.355 -0.841 . . . . 0.0 110.084 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.58 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.39 -35.38 18.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.076 -1.015 . . . . 0.0 109.777 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 65' ' ' GLY . 86.3 mt -68.72 -36.98 76.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.187 -0.946 . . . . 0.0 109.642 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.0 -5.63 12.61 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.164 -1.575 . . . . 0.0 109.164 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.404 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 89.93 -7.95 80.74 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -65.7 -46.49 78.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.104 -1.233 . . . . 0.0 109.718 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.5 t -63.61 -35.15 79.58 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.199 -0.938 . . . . 0.0 109.321 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.475 ' OE2' HD21 ' A' ' 76' ' ' LEU . 96.8 mt-10 -63.01 -29.23 70.66 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.446 -0.784 . . . . 0.0 109.893 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -40.56 -37.07 0.66 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.196 -0.94 . . . . 0.0 109.782 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -110.41 131.29 55.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.403 -0.81 . . . . 0.0 109.039 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 51.59 48.02 23.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.105 -0.997 . . . . 0.0 109.002 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.9 t -56.32 -38.5 71.39 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.34 -0.85 . . . . 0.0 110.344 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.82 -43.74 94.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.053 -1.029 . . . . 0.0 110.238 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -66.25 -41.08 90.45 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.043 -1.036 . . . . 0.0 110.343 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -62.37 -45.86 91.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.177 -0.952 . . . . 0.0 110.194 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.475 HD21 ' OE2' ' A' ' 68' ' ' GLU . 85.0 mt -65.53 -39.25 91.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.257 -0.902 . . . . 0.0 109.714 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.477 ' O ' ' OG1' ' A' ' 81' ' ' THR . 64.4 m170 -62.05 -45.59 92.88 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.19 -0.944 . . . . 0.0 109.951 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.42 -50.21 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.148 -0.97 . . . . 0.0 110.144 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 94.5 mmm -68.36 -46.59 69.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.223 -0.923 . . . . 0.0 110.715 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.588 ' OD1' ' CE1' ' A' ' 84' ' ' HIS . 32.1 t30 -68.56 -43.63 76.22 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.014 -1.054 . . . . 0.0 111.426 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 56.3 m -65.62 -48.34 72.56 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.152 -0.967 . . . . 0.0 111.948 -178.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.541 HD23 ' CG ' ' A' ' 88' ' ' LYS . 14.4 mt -72.36 -34.01 67.67 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.853 -1.154 . . . . 0.0 111.386 -178.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 94.2 mt -78.0 -35.56 20.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.987 -1.07 . . . . 0.0 111.065 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.588 ' CE1' ' OD1' ' A' ' 80' ' ' ASN . 77.7 m80 -89.13 -31.59 17.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.02 -1.05 . . . . 0.0 111.323 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -87.83 105.98 17.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.745 -1.222 . . . . 0.0 109.939 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -62.15 -40.11 94.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.34 -0.85 . . . . 0.0 109.914 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.56 -40.98 98.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.214 -0.929 . . . . 0.0 109.66 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.541 ' CG ' HD23 ' A' ' 82' ' ' LEU . 5.6 tptm -62.18 -34.34 76.24 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.83 -42.96 66.34 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.323 -0.861 . . . . 0.0 109.592 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -61.37 -48.86 79.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.269 -0.895 . . . . 0.0 109.862 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.669 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -66.59 -40.36 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.215 -0.928 . . . . 0.0 108.889 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.669 ' N ' HD12 ' A' ' 91' ' ' ILE . 61.1 t80 -61.96 -47.27 85.59 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.231 -0.918 . . . . 0.0 108.557 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.665 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 74.4 mtm -63.9 -37.28 86.82 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.324 -0.86 . . . . 0.0 109.34 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.8 mt -61.6 -39.62 91.87 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.016 -1.053 . . . . 0.0 108.825 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.62 -44.02 97.77 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.443 -0.786 . . . . 0.0 109.058 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -67.42 -49.46 63.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.365 -0.835 . . . . 0.0 109.343 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 93' ' ' MET . 81.5 p -62.47 -44.31 96.7 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 121.279 -0.888 . . . . 0.0 109.268 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 50.8 ttm -60.64 -47.64 85.32 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.299 -0.875 . . . . 0.0 108.761 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.4 t -65.0 -42.06 94.84 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 104' ' ' LYS . 33.2 tp -64.04 -37.64 88.17 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.486 -0.759 . . . . 0.0 109.337 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -59.37 -48.53 81.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.378 -0.826 . . . . 0.0 109.607 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -65.98 -46.74 76.95 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.091 -1.006 . . . . 0.0 109.009 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.46 -34.84 78.64 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.399 -0.813 . . . . 0.0 109.074 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 100' ' ' LEU . 6.1 ttpm? -59.91 -44.33 94.35 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.326 -0.859 . . . . 0.0 109.304 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.2 -43.4 98.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.185 -0.947 . . . . 0.0 109.281 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -61.23 -40.73 95.11 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.199 -0.938 . . . . 0.0 110.192 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' A' ' 111' ' ' GLY . 87.3 mt-30 -62.05 -40.93 97.43 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.127 -0.983 . . . . 0.0 109.921 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.471 HD13 ' CE2' ' A' ' 157' ' ' TYR . 82.0 mt -64.95 -38.98 92.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.01 -1.056 . . . . 0.0 109.467 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -78.6 -53.1 7.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.272 -0.893 . . . . 0.0 110.25 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -83.68 -23.02 31.91 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.49 -0.756 . . . . 0.0 110.72 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -101.78 149.44 18.1 Favored Glycine 0 N--CA 1.492 2.428 0 C-N-CA 119.601 -1.285 . . . . 0.0 110.253 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.01 154.08 52.65 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 122.725 2.283 . . . . 0.0 111.806 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.669 ' CH2' HG21 ' A' ' 166' ' ' ILE . 15.1 m-90 -92.3 116.69 29.18 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.073 -1.017 . . . . 0.0 109.635 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 88.0 m-20 -135.02 175.89 9.16 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.284 -0.885 . . . . 0.0 109.062 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -60.52 -36.2 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.166 -0.959 . . . . 0.0 109.316 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.445 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.7 mtm -60.44 -39.83 88.9 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.31 -0.869 . . . . 0.0 109.195 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.4 mm? -65.61 -37.91 87.95 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.308 -0.87 . . . . 0.0 108.958 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -57.87 -42.71 85.11 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.209 -0.932 . . . . 0.0 108.798 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -62.68 -39.47 94.06 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.368 -0.832 . . . . 0.0 109.03 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.9 m -62.67 -39.7 94.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.371 -0.831 . . . . 0.0 109.738 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.94 -42.0 99.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.191 -0.943 . . . . 0.0 109.743 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.754 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 86.5 m95 -63.53 -39.55 94.7 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.184 -0.947 . . . . 0.0 109.577 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.6 m -67.62 -42.77 81.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -0.891 . . . . 0.0 109.969 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 76.0 m -58.93 -47.31 85.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.158 -0.964 . . . . 0.0 109.722 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.93 -39.07 80.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.184 -0.948 . . . . 0.0 109.403 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.564 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 91.0 m-20 -60.21 -41.42 93.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.277 -0.889 . . . . 0.0 109.727 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.62 -42.24 99.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.136 -0.977 . . . . 0.0 109.627 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -72.31 -43.11 64.65 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.244 -0.91 . . . . 0.0 109.516 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.6 p -70.99 -33.13 70.11 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.265 -0.897 . . . . 0.0 110.246 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.606 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 90.2 m -68.14 -50.08 56.89 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.032 -1.043 . . . . 0.0 109.782 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.2 mt -66.37 -44.02 91.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.213 -0.929 . . . . 0.0 109.411 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.656 HD21 HE22 ' A' ' 148' ' ' GLN . 38.9 tp -63.09 -40.54 97.94 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.485 -0.76 . . . . 0.0 109.95 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -60.84 -49.33 77.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.183 -0.948 . . . . 0.0 110.278 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 39.1 tp -64.3 -44.75 90.65 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.075 -1.015 . . . . 0.0 109.866 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -87.4 3.51 46.79 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.311 -0.868 . . . . 0.0 110.327 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 132' ' ' LEU . 5.8 tptm -53.43 -36.01 61.07 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.242 -0.911 . . . . 0.0 109.858 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -62.78 -25.41 68.21 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.122 -0.986 . . . . 0.0 109.371 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -89.92 -2.9 58.27 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.193 -0.942 . . . . 0.0 110.099 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.9 mm -104.4 142.08 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.115 -0.991 . . . . 0.0 109.805 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.1 m -77.56 155.42 31.58 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -55.41 -41.57 72.9 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.07 -1.019 . . . . 0.0 109.716 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 26.6 m -72.14 -43.3 64.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.936 -1.102 . . . . 0.0 109.211 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.7 m -59.14 -39.32 82.02 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.153 -0.967 . . . . 0.0 108.653 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.9 -38.64 91.83 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -55.36 -45.54 76.51 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.404 -0.81 . . . . 0.0 109.421 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.5 m -61.35 -46.38 90.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.157 -0.964 . . . . 0.0 109.453 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 37.6 mt -65.79 -39.93 91.44 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.276 -0.89 . . . . 0.0 109.014 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.656 HE22 HD21 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -64.0 -36.21 83.25 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.334 -0.854 . . . . 0.0 109.001 179.481 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -62.19 -38.62 89.81 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.099 -1.0 . . . . 0.0 109.248 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.33 -42.5 98.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.061 -1.024 . . . . 0.0 108.339 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.7 -37.56 80.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -57.9 -41.43 82.6 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -58.82 -43.23 90.56 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 88.1 m -64.81 -50.36 67.03 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.287 -0.883 . . . . 0.0 109.077 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -62.39 -37.17 84.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.293 -0.879 . . . . 0.0 109.347 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 11.0 mt -58.5 -47.8 87.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.153 -0.967 . . . . 0.0 109.827 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.594 ' OH ' ' CE2' ' A' ' 113' ' ' TRP . 74.3 t80 -63.2 -40.42 97.44 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.754 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 36.5 tp -59.57 -41.06 89.35 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.2 m -61.84 -37.92 86.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.309 -0.869 . . . . 0.0 109.008 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -61.07 -40.28 93.07 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.269 -0.894 . . . . 0.0 108.9 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.67 -35.43 80.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.296 -0.877 . . . . 0.0 109.207 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.59 -37.18 82.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.411 -0.805 . . . . 0.0 109.145 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -81.73 -11.52 59.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.244 -0.91 . . . . 0.0 109.291 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.37 -2.21 74.04 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -94.89 139.61 31.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -1.145 . . . . 0.0 109.65 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.669 HG21 ' CH2' ' A' ' 113' ' ' TRP . 37.9 mm . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.451 -0.781 . . . . 0.0 109.389 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -62.39 -39.59 93.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.337 -0.852 . . . . 0.0 108.937 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -60.12 -42.1 94.05 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.381 -0.824 . . . . 0.0 109.278 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 195' ' ' LEU . . . . . 0.689 HD11 HD22 ' A' ' 53' ' ' LEU . 49.3 tp -59.64 -42.33 92.51 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.206 -0.934 . . . . 0.0 109.084 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.99 91.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.2 -0.938 . . . . 0.0 109.043 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -65.27 -34.75 79.08 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.359 -0.838 . . . . 0.0 109.162 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -58.96 -43.89 91.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.264 -0.898 . . . . 0.0 109.101 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.0 -42.66 99.9 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.213 -0.929 . . . . 0.0 108.858 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -58.96 -38.45 79.11 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.361 -0.837 . . . . 0.0 108.82 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.35 79.9 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.321 -0.862 . . . . 0.0 108.705 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 202' ' ' LEU . . . . . 0.633 HD22 HG21 ' A' ' 56' ' ' ILE . 4.2 tp -58.99 -39.72 82.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.0 108.988 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 203' ' ' ARG . . . . . 0.474 ' NH1' ' OE2' ' A' ' 33' ' ' GLU . 33.7 ptt180 -101.51 3.7 40.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.887 . . . . 0.0 109.445 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 117.991 -1.449 . . . . 0.0 109.515 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.1 83.74 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.136 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -63.38 -38.57 91.65 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.139 -0.976 . . . . 0.0 108.97 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -57.32 -39.63 76.22 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.548 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.66 -39.82 95.29 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.32 95.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.337 -0.852 . . . . 0.0 109.151 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' A' ' 11' ' ' THR . 12.4 tpt85 -60.29 -38.87 84.97 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.255 -0.903 . . . . 0.0 109.021 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.53 -39.47 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.281 -0.887 . . . . 0.0 109.007 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.45 -38.36 79.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.337 -0.852 . . . . 0.0 108.975 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.19 95.09 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.292 -0.963 . . . . 0.0 108.575 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.558 ' CG2' ' NH1' ' A' ' 7' ' ' ARG . 3.8 p -67.93 -35.36 78.29 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.97 -42.42 89.87 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.302 -0.874 . . . . 0.0 108.814 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -62.83 -43.58 98.41 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.255 -0.903 . . . . 0.0 108.933 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -61.34 -42.23 98.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.231 -0.918 . . . . 0.0 109.235 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -62.39 -40.5 96.69 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.337 -0.852 . . . . 0.0 109.206 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.474 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 55.5 t0 -58.75 -38.41 78.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.252 -0.905 . . . . 0.0 108.682 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -60.71 -30.48 69.98 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 18' ' ' VAL . 58.5 t -83.76 -10.22 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.432 -0.792 . . . . 0.0 109.477 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.53 16.86 56.27 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.1 mt -95.75 47.57 1.11 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.316 -1.108 . . . . 0.0 109.088 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.21 -32.24 57.01 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.2 mm -58.54 -50.23 79.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 O-C-N 121.172 -1.193 . . . . 0.0 109.603 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.2 mm -63.13 -42.22 95.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.227 -0.921 . . . . 0.0 109.05 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.551 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.59 -39.35 94.95 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.802 ' CE2' HD11 ' A' ' 29' ' ' LEU . 65.2 t80 -62.46 -47.72 82.78 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.149 -1.207 . . . . 0.0 110.408 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.667 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 70.9 t80 -61.11 -45.86 92.96 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.264 -0.897 . . . . 0.0 111.275 -178.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.551 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.9 pp -66.17 -33.41 75.71 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.579 -1.326 . . . . 0.0 109.918 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.489 ' N ' HD12 ' A' ' 27' ' ' LEU . 91.9 mt-30 -59.87 -40.41 88.53 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.624 -1.297 . . . . 0.0 107.895 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.802 HD11 ' CE2' ' A' ' 25' ' ' TYR . 86.0 mt -61.77 -38.29 87.49 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.661 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 84.7 t80 -67.32 -36.3 81.18 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.421 -0.799 . . . . 0.0 109.253 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.5 93.08 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.307 -0.871 . . . . 0.0 110.151 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.694 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -65.89 -42.53 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.778 -1.202 . . . . 0.0 108.775 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.6 -34.75 76.18 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.948 -1.095 . . . . 0.0 108.793 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.548 HD23 ' HB2' ' A' ' 5' ' ' ALA . 43.3 tp -64.25 -45.19 89.24 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.323 -0.861 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.1 mt -60.27 -46.63 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.08 -1.012 . . . . 0.0 110.111 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -64.44 -33.4 75.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.353 -0.842 . . . . 0.0 109.857 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.2 p -71.75 -25.66 62.13 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.077 -1.014 . . . . 0.0 109.73 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -76.22 150.46 37.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.358 -0.839 . . . . 0.0 109.931 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.94 151.05 15.46 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.432 -0.792 . . . . 0.0 109.136 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -57.35 140.17 50.93 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.234 -0.916 . . . . 0.0 109.825 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -122.15 170.57 9.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.718 -0.614 . . . . 0.0 109.475 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p -57.81 171.42 0.49 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.91 . . . . 0.0 109.769 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -55.58 -28.64 56.22 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.466 -0.772 . . . . 0.0 110.722 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.27 -41.68 50.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.799 -1.188 . . . . 0.0 109.412 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 56.3 ttp -64.3 -36.25 83.5 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.03 -1.044 . . . . 0.0 109.017 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.7 m -59.59 -40.91 89.03 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.415 -0.803 . . . . 0.0 109.25 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.27 97.91 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.268 -0.895 . . . . 0.0 108.794 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.5 tp -61.23 -39.28 89.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.375 -0.828 . . . . 0.0 109.006 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.49 91.21 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.299 -0.876 . . . . 0.0 109.366 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.1 m -60.7 -42.58 97.45 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.193 -0.942 . . . . 0.0 109.158 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.86 -39.36 91.6 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.261 -0.9 . . . . 0.0 108.964 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 52' ' ' LEU . 30.9 tp -60.55 -40.71 92.6 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.374 -0.829 . . . . 0.0 109.213 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.561 HD22 HD11 ' B' ' 195' ' ' LEU . 42.3 tp -61.08 -39.9 91.68 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.294 -0.879 . . . . 0.0 108.935 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -59.94 -41.28 91.51 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.459 -0.775 . . . . 0.0 108.938 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.407 HG22 ' NE2' ' A' ' 28' ' ' GLN . 42.9 m -60.72 -41.8 95.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.512 -0.743 . . . . 0.0 109.672 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.508 HG21 ' CD2' ' B' ' 202' ' ' LEU . 79.7 mt -59.29 -51.54 71.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.209 -0.932 . . . . 0.0 109.182 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.534 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.9 mt-10 -62.54 -36.71 83.47 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -65.24 -34.52 78.55 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.068 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -59.38 -54.26 48.7 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.285 -0.884 . . . . 0.0 109.176 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.22 -40.82 97.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.098 -1.001 . . . . 0.0 109.009 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -82.53 -2.42 53.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.503 -0.748 . . . . 0.0 109.831 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.0 tt0 -49.11 -34.94 15.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.175 -0.953 . . . . 0.0 109.846 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.561 HG23 ' HB2' ' A' ' 67' ' ' SER . 81.9 mt -68.44 -41.2 83.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 121.172 -0.955 . . . . 0.0 109.676 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.25 -5.47 9.23 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.518 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 90.77 -8.48 79.74 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -69.74 -47.07 64.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.236 -1.155 . . . . 0.0 109.648 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.561 ' HB2' HG23 ' A' ' 63' ' ' ILE . 18.3 m -69.22 -32.45 71.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.243 -0.911 . . . . 0.0 108.988 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 72' ' ' SER . 84.3 tt0 -57.23 -32.95 67.05 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.553 -0.717 . . . . 0.0 109.92 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.94 -37.91 83.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.133 -0.979 . . . . 0.0 109.961 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' ASP . 95.6 mt-10 -97.7 135.34 39.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.153 -0.967 . . . . 0.0 108.786 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' GLU . 85.9 m-20 48.88 44.1 21.93 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -58.28 -43.3 87.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.636 -0.665 . . . . 0.0 110.564 -178.602 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.585 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 90.6 m-20 -62.87 -48.09 80.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.985 -1.072 . . . . 0.0 110.116 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -72.6 -42.85 64.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.348 -0.845 . . . . 0.0 110.641 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.2 m -59.5 -46.22 89.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.107 -0.995 . . . . 0.0 110.174 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.406 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 99.1 mt -68.21 -37.95 81.42 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.207 -0.933 . . . . 0.0 109.807 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.585 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 64.8 m170 -61.11 -45.59 94.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.285 -0.884 . . . . 0.0 110.233 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.11 -49.94 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.103 -0.998 . . . . 0.0 110.251 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.435 ' HE3' ' HB3' ' A' ' 79' ' ' MET . 97.2 mmm -67.92 -46.34 71.79 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.072 -1.017 . . . . 0.0 110.233 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.591 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 57.8 t-20 -68.4 -44.52 74.9 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.179 -0.951 . . . . 0.0 111.293 -178.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 39.7 m -67.28 -48.12 68.61 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.049 -1.032 . . . . 0.0 112.0 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.9 mt -70.82 -33.88 71.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.926 -1.109 . . . . 0.0 111.32 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.9 mt -79.03 -42.21 23.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 120.885 -1.135 . . . . 0.0 111.072 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.591 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 67.4 m80 -75.52 -48.0 24.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.133 -0.979 . . . . 0.0 111.312 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -83.1 108.36 16.32 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.834 -1.166 . . . . 0.0 110.114 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.411 ' OE1' HD21 ' A' ' 134' ' ' LEU . 14.5 tt0 -61.97 -34.84 76.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.454 -0.779 . . . . 0.0 110.001 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.61 -42.13 87.45 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.092 -1.005 . . . . 0.0 109.675 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -63.29 -34.98 78.87 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.82 -42.66 66.75 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.25 -0.906 . . . . 0.0 109.485 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -60.27 -48.44 81.73 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.081 -1.012 . . . . 0.0 109.75 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.735 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -69.9 -41.14 79.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.298 -0.876 . . . . 0.0 108.932 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.735 ' N ' HD12 ' A' ' 91' ' ' ILE . 63.7 t80 -62.85 -48.67 78.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.25 -0.906 . . . . 0.0 108.656 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.667 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 72.1 mtm -65.77 -37.62 86.84 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.297 -0.877 . . . . 0.0 109.313 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.9 tp -61.4 -40.9 96.05 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.215 -0.928 . . . . 0.0 108.961 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -62.48 -42.27 99.37 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.442 -0.786 . . . . 0.0 109.299 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.546 ' CE2' HD22 ' A' ' 100' ' ' LEU . 67.7 t80 -63.38 -47.13 83.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.437 -0.789 . . . . 0.0 109.626 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.721 HG22 HD23 ' A' ' 127' ' ' LEU . 41.9 p -62.68 -43.28 99.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.248 -0.907 . . . . 0.0 109.6 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 59.8 ttp -63.92 -46.84 82.98 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.379 -0.826 . . . . 0.0 109.205 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 m -69.24 -42.03 76.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.843 . . . . 0.0 109.502 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.546 HD22 ' CE2' ' A' ' 96' ' ' PHE . 29.0 tp -67.43 -39.96 85.45 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.338 -0.851 . . . . 0.0 110.068 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.65 ' CE2' HD11 ' A' ' 105' ' ' LEU . 76.6 t80 -62.94 -48.39 79.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.27 -0.894 . . . . 0.0 110.642 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -63.79 -47.19 81.9 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.959 -1.088 . . . . 0.0 109.973 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.25 -37.68 88.19 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.258 -0.901 . . . . 0.0 109.37 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.584 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 38.8 tttp -61.74 -42.04 98.44 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.364 -0.835 . . . . 0.0 109.648 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.65 HD11 ' CE2' ' A' ' 101' ' ' TYR . 93.9 mt -59.98 -43.3 95.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.102 -0.999 . . . . 0.0 109.101 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -60.11 -37.67 80.71 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.174 -0.954 . . . . 0.0 109.074 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.59 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.3 mt-30 -62.87 -38.33 90.42 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.366 -0.834 . . . . 0.0 109.451 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.457 HD13 ' CE2' ' A' ' 157' ' ' TYR . 63.3 mt -63.71 -39.14 93.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.167 -0.958 . . . . 0.0 109.283 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -78.2 -53.12 7.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 110.39 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -82.13 -23.03 35.86 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.4 -0.812 . . . . 0.0 110.518 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.61 155.16 17.89 Favored Glycine 0 N--CA 1.493 2.476 0 C-N-CA 119.713 -1.232 . . . . 0.0 110.312 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -68.82 154.3 71.35 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.941 2.428 . . . . 0.0 111.869 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.588 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 13.0 m-90 -92.23 124.62 36.44 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.149 -0.97 . . . . 0.0 109.656 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.2 m-20 -134.5 166.64 22.42 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.422 -0.799 . . . . 0.0 109.485 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.402 ' H ' HG13 ' A' ' 115' ' ' VAL . 2.9 m -64.17 -31.87 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.244 -0.91 . . . . 0.0 109.393 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.8 mtm -59.34 -39.08 82.04 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.327 -0.858 . . . . 0.0 109.31 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.98 -37.72 88.45 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.227 -0.92 . . . . 0.0 109.12 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.575 ' HA ' HD12 ' A' ' 121' ' ' LEU . 20.5 mttp -59.67 -42.14 92.24 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.197 -0.939 . . . . 0.0 109.033 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -62.47 -40.61 97.21 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.335 -0.853 . . . . 0.0 109.235 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.584 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 96.8 p -65.63 -34.19 77.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.463 -0.773 . . . . 0.0 109.421 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 118' ' ' LYS . 34.1 mt -64.78 -42.01 95.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.29 -0.881 . . . . 0.0 109.434 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.706 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 90.8 m95 -63.13 -41.41 99.32 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.072 -1.017 . . . . 0.0 109.269 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.8 m -68.71 -41.14 79.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.294 -0.879 . . . . 0.0 109.643 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 91.6 m -62.32 -49.42 75.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.19 -0.944 . . . . 0.0 109.732 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.75 -41.91 90.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 121.216 -0.928 . . . . 0.0 109.355 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.497 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.3 m-20 -61.18 -39.16 89.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.363 -0.836 . . . . 0.0 109.649 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.721 HD23 HG22 ' A' ' 97' ' ' THR . 44.4 tp -61.23 -44.95 96.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 109.452 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.527 ' HZ ' HD23 ' A' ' 147' ' ' LEU . 48.4 t80 -69.12 -43.11 75.08 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.295 -0.878 . . . . 0.0 109.295 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.6 m -62.02 -38.45 88.71 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.366 -0.834 . . . . 0.0 109.822 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.661 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 72.6 m -63.41 -49.3 74.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.21 -0.931 . . . . 0.0 109.364 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.63 -43.77 98.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 O-C-N 121.188 -0.945 . . . . 0.0 109.289 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.835 HD21 ' NE2' ' A' ' 148' ' ' GLN . 61.7 tp -62.56 -40.23 96.17 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.544 -0.723 . . . . 0.0 110.329 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -62.14 -49.33 76.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.13 -0.981 . . . . 0.0 110.458 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.411 HD21 ' OE1' ' A' ' 86' ' ' GLN . 35.1 tp -65.52 -43.9 88.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.036 -1.04 . . . . 0.0 110.374 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -86.93 2.39 49.46 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.248 -0.907 . . . . 0.0 110.556 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -37.52 63.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.111 -0.993 . . . . 0.0 109.519 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.01 -25.34 65.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.908 . . . . 0.0 110.024 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -89.07 -5.96 57.47 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.09 -1.006 . . . . 0.0 110.67 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.1 147.19 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.227 -0.92 . . . . 0.0 109.902 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 55.4 p -77.13 155.56 32.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.421 -0.799 . . . . 0.0 109.538 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.07 -40.36 89.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.823 . . . . 0.0 110.158 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 27.7 m -67.13 -45.2 77.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.729 -1.232 . . . . 0.0 109.076 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.9 m -59.83 -39.63 85.74 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.91 -38.85 87.19 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -56.04 -44.57 78.94 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.494 -0.754 . . . . 0.0 109.356 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.9 m -61.16 -50.51 72.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.203 -0.936 . . . . 0.0 109.981 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 147' ' ' LEU . 10.3 mp -66.26 -38.72 88.5 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.128 -0.983 . . . . 0.0 109.215 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.835 ' NE2' HD21 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -63.06 -38.83 92.73 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.235 -0.916 . . . . 0.0 109.434 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -62.49 -39.2 92.71 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.948 -1.095 . . . . 0.0 108.905 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.15 -40.32 85.17 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.168 -0.957 . . . . 0.0 108.61 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.8 mm -60.96 -40.59 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.361 -0.837 . . . . 0.0 108.854 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -57.49 -41.69 81.21 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.608 ' HA ' HD12 ' A' ' 156' ' ' ILE . 73.6 t80 -57.97 -42.62 85.43 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' CYS . . . . . 0.423 ' HG ' ' HE1' ' A' ' 101' ' ' TYR . 5.1 m -62.77 -49.96 72.92 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -62.42 -33.83 75.57 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.505 -0.747 . . . . 0.0 109.41 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 153' ' ' TYR . 19.7 mt -57.89 -48.08 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 O-C-N 121.196 -0.94 . . . . 0.0 109.861 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.588 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 54.2 t80 -63.13 -41.0 99.22 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.706 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 48.2 tp -59.91 -40.11 87.72 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.754 -0.591 . . . . 0.0 109.46 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.8 m -61.87 -42.03 98.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 0.0 109.757 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -61.5 -40.56 95.02 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.112 -0.993 . . . . 0.0 109.228 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.437 HD11 ' CE2' ' A' ' 157' ' ' TYR . 10.3 mp -66.52 -35.16 79.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.265 -0.897 . . . . 0.0 109.087 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.83 81.56 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.286 -0.884 . . . . 0.0 109.073 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -81.66 -12.02 58.85 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.342 -0.849 . . . . 0.0 109.264 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.11 -3.91 73.73 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -95.09 144.05 26.05 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.225 -1.162 . . . . 0.0 109.705 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 39.4 mm . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.491 -0.755 . . . . 0.0 109.425 179.541 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -61.03 -40.66 94.43 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.283 -0.885 . . . . 0.0 109.036 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -61.41 -42.18 98.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.323 -0.861 . . . . 0.0 109.358 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 195' ' ' LEU . . . . . 0.561 HD11 HD22 ' A' ' 53' ' ' LEU . 36.1 tp -59.68 -40.04 86.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.235 -0.916 . . . . 0.0 109.268 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.08 97.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.334 -0.854 . . . . 0.0 109.389 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.17 -35.67 81.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.239 -0.913 . . . . 0.0 109.244 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 198' ' ' ARG . . . . . 0.534 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 79.3 ttt180 -60.82 -42.98 98.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.276 -0.89 . . . . 0.0 109.158 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 199' ' ' LEU . . . . . 0.694 HD22 HG21 ' A' ' 32' ' ' VAL . 2.9 tp -62.42 -43.19 99.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.205 -0.934 . . . . 0.0 109.144 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -59.18 -36.78 75.94 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.349 -0.845 . . . . 0.0 108.921 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.7 -36.51 83.84 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.311 -0.868 . . . . 0.0 108.683 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 202' ' ' LEU . . . . . 0.508 ' CD2' HG21 ' A' ' 56' ' ' ILE . 9.6 tp -59.98 -39.02 84.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.404 -0.81 . . . . 0.0 108.879 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -87.4 -10.5 51.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.347 -0.846 . . . . 0.0 109.251 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 CA-C-O 117.995 -1.447 . . . . 0.0 109.545 179.847 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.532 ' N ' ' OD1' ' A' ' 4' ' ' ASN . 87.8 mtp . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.386 0.612 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.674 ' HB1' ' CE ' ' A' ' 45' ' ' MET . . . -57.39 -37.74 73.17 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.101 -0.999 . . . . 0.0 108.896 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.9 p -64.25 -37.5 87.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.272 -0.892 . . . . 0.0 109.178 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 1' ' ' MET . 8.7 m120 -58.58 -41.69 86.31 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.996 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.21 -40.15 96.65 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.56 96.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.507 -0.745 . . . . 0.0 109.361 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.432 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.1 -41.71 93.13 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.172 -0.955 . . . . 0.0 108.727 179.758 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.442 ' CG1' HD13 ' A' ' 27' ' ' LEU . 53.7 t -61.05 -37.04 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.431 -0.793 . . . . 0.0 109.013 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.4 t -60.39 -37.96 76.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.63 98.88 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.6 p -68.61 -35.48 77.38 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.613 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -57.15 -45.45 83.59 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -62.59 -39.28 93.22 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 18' ' ' VAL . 56.0 t0 -59.5 -41.5 90.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.339 -0.851 . . . . 0.0 109.562 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -62.96 -40.52 97.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.175 -0.953 . . . . 0.0 109.535 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.486 ' OD1' ' OE2' ' A' ' 62' ' ' GLU . 61.0 t0 -58.57 -39.92 81.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.173 -0.954 . . . . 0.0 108.853 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -62.14 -31.26 71.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.361 -0.837 . . . . 0.0 109.269 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 14' ' ' ASP . 15.1 t -84.01 -14.22 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.297 -0.877 . . . . 0.0 109.643 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.64 12.38 62.68 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 20' ' ' LEU . 11.0 mp -95.72 54.62 1.56 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.298 -1.119 . . . . 0.0 109.042 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.08 -29.14 55.29 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mm -58.32 -50.1 79.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.147 -1.207 . . . . 0.0 109.545 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -62.8 -44.94 99.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.212 -0.93 . . . . 0.0 108.814 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.45 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.62 -38.11 93.25 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.416 -1.473 . . . . 0.0 109.416 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.787 ' CE2' HD11 ' A' ' 29' ' ' LEU . 72.9 t80 -60.74 -47.95 84.01 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.096 -1.238 . . . . 0.0 110.622 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' SD ' ' A' ' 93' ' ' MET . 77.0 t80 -64.31 -47.18 80.42 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.041 -1.037 . . . . 0.0 111.497 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 12' ' ' ALA . 3.3 pp -70.65 -34.13 71.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.668 -1.27 . . . . 0.0 110.363 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -60.31 -41.14 92.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.578 -1.326 . . . . 0.0 108.55 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.787 HD11 ' CE2' ' A' ' 25' ' ' TYR . 74.5 mt -62.26 -40.54 96.55 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.634 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 74.6 t80 -66.43 -35.99 81.68 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.33 -0.857 . . . . 0.0 109.267 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.78 90.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.319 -0.863 . . . . 0.0 110.105 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.695 HG21 HD22 ' B' ' 199' ' ' LEU . 1.8 p -67.27 -43.81 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.91 -1.119 . . . . 0.0 108.996 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -60.76 -34.4 74.39 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.017 -1.052 . . . . 0.0 108.559 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.996 HD23 ' HB2' ' A' ' 5' ' ' ALA . 35.2 tp -63.05 -47.53 82.58 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.417 -0.802 . . . . 0.0 109.901 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.7 mt -59.32 -44.96 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.183 -0.948 . . . . 0.0 110.424 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.441 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.0 mp -62.56 -34.43 76.93 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.305 -0.872 . . . . 0.0 110.022 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.4 p -71.98 -25.88 62.03 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.981 -1.074 . . . . 0.0 109.718 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.59 ' OE1' ' NH1' ' A' ' 41' ' ' ARG . 98.8 mt-10 -68.08 150.17 48.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.324 -0.86 . . . . 0.0 110.248 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -57.18 151.13 16.13 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.443 -0.786 . . . . 0.0 109.124 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -57.54 136.39 56.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.291 -0.88 . . . . 0.0 110.113 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.59 ' NH1' ' OE1' ' A' ' 38' ' ' GLU . 78.8 mtt85 -122.38 171.45 9.06 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.1 m -56.7 167.42 0.75 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.224 -0.922 . . . . 0.0 109.96 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -55.6 -33.35 63.88 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.486 -0.759 . . . . 0.0 111.017 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.51 -43.13 55.67 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.811 -1.181 . . . . 0.0 109.202 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.674 ' CE ' ' HB1' ' A' ' 2' ' ' ALA . 6.6 tpt -65.26 -38.87 91.63 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.199 -0.938 . . . . 0.0 108.693 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.58 HG21 ' OE2' ' B' ' 192' ' ' GLU . 33.1 m -59.93 -39.94 87.22 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.482 -0.761 . . . . 0.0 109.269 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.7 98.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.338 -0.851 . . . . 0.0 108.749 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.506 HD23 ' CE ' ' A' ' 45' ' ' MET . 32.2 tp -61.36 -39.9 92.31 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.326 -0.859 . . . . 0.0 108.999 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.31 90.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.284 -0.885 . . . . 0.0 109.324 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.7 m -60.74 -41.29 95.09 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.224 -0.922 . . . . 0.0 109.183 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.2 -39.22 94.01 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.272 -0.893 . . . . 0.0 109.415 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.6 tp -59.99 -44.61 94.39 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.297 -0.877 . . . . 0.0 109.576 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.814 HD12 HD12 ' A' ' 56' ' ' ILE . 40.3 tp -61.65 -37.91 85.75 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.165 -0.959 . . . . 0.0 108.603 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -59.48 -38.55 81.14 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.282 -1.006 . . . . 0.0 108.282 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' PHE . 44.7 m -60.13 -42.32 94.54 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.814 HD12 HD12 ' A' ' 53' ' ' LEU . 82.1 mt -57.52 -52.87 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.205 -0.935 . . . . 0.0 108.687 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -61.05 -36.8 80.54 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.9 -32.53 73.85 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' THR . 76.9 t80 -58.63 -51.09 71.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.395 -0.816 . . . . 0.0 108.88 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.445 ' HE2' HD11 ' B' ' 202' ' ' LEU . 13.5 mttp -61.04 -38.72 87.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.179 -0.951 . . . . 0.0 108.829 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -81.74 -1.44 47.11 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.5 -0.75 . . . . 0.0 109.496 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.486 ' OE2' ' OD1' ' A' ' 16' ' ' ASP . 87.7 tt0 -48.54 -33.24 9.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.406 -0.809 . . . . 0.0 110.236 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.932 HD11 ' SD ' ' A' ' 79' ' ' MET . 76.6 mt -67.52 -40.92 85.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 120.985 -1.072 . . . . 0.0 109.721 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.61 -0.33 35.51 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.436 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 94.17 -2.9 69.12 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.34 -46.73 82.2 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.163 -1.198 . . . . 0.0 109.781 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 70' ' ' GLU . 14.8 m -65.65 -33.05 74.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.164 -0.96 . . . . 0.0 108.848 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.95 -28.24 68.83 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.604 -0.685 . . . . 0.0 109.615 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.24 95.84 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.926 -1.109 . . . . 0.0 110.066 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.4 mt-10 -134.87 145.28 48.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.308 -0.87 . . . . 0.0 110.005 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 48.76 42.33 19.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.224 -0.923 . . . . 0.0 109.233 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.7 p -64.04 -37.51 87.71 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.386 -0.821 . . . . 0.0 110.278 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.41 -43.39 98.94 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.964 -1.085 . . . . 0.0 109.755 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -68.73 -47.57 65.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.274 -0.891 . . . . 0.0 110.588 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.4 m -62.97 -44.69 95.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.093 -1.005 . . . . 0.0 110.054 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.3 -39.83 81.93 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.315 -0.865 . . . . 0.0 110.278 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -61.3 -45.28 95.11 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.222 -0.924 . . . . 0.0 110.442 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 72.0 t -67.35 -49.41 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.056 -1.028 . . . . 0.0 110.193 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.932 ' SD ' HD11 ' A' ' 63' ' ' ILE . 89.1 mtp -67.71 -46.49 72.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.088 -1.007 . . . . 0.0 110.636 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.516 ' O ' ' CG ' ' A' ' 84' ' ' HIS . 79.8 m-20 -66.54 -40.93 89.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.127 -0.983 . . . . 0.0 110.771 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.5 m -70.42 -49.16 51.68 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.179 -0.951 . . . . 0.0 111.45 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.3 mt -71.74 -34.33 69.42 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.923 -1.111 . . . . 0.0 111.114 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.9 mt -79.25 -41.81 23.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 120.944 -1.097 . . . . 0.0 110.859 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 6.9 m-70 -67.6 -48.28 67.28 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.026 -1.046 . . . . 0.0 111.006 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -88.02 113.5 23.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.064 -1.022 . . . . 0.0 110.249 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -61.64 -37.1 82.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.36 -0.838 . . . . 0.0 110.031 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.38 -41.84 94.62 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.072 -1.017 . . . . 0.0 109.636 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -62.2 -33.04 73.8 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.162 -0.961 . . . . 0.0 108.673 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.6 -42.46 74.39 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.33 -0.856 . . . . 0.0 109.7 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -66.18 -48.13 71.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.922 . . . . 0.0 110.632 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.82 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -63.89 -45.21 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.809 -1.182 . . . . 0.0 108.853 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.82 ' N ' HD12 ' A' ' 91' ' ' ILE . 67.0 t80 -64.69 -45.14 87.91 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.528 ' SD ' ' CD2' ' A' ' 26' ' ' TYR . 27.5 ttp -68.23 -42.32 79.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.577 -0.702 . . . . 0.0 109.914 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.5 tp -61.6 -40.67 95.63 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.142 -0.974 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -60.69 -48.33 82.27 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.198 -0.939 . . . . 0.0 109.506 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -70.88 -45.45 64.34 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.411 -0.806 . . . . 0.0 109.329 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.2 m -57.46 -43.51 84.07 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.439 -0.788 . . . . 0.0 109.788 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 91.4 mmm -66.98 -43.25 83.51 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.069 -1.019 . . . . 0.0 109.491 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.7 p -67.79 -36.4 80.38 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.273 -0.892 . . . . 0.0 109.083 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 31.5 tp -63.63 -42.02 98.2 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.427 -0.796 . . . . 0.0 109.227 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.621 ' CE2' HD11 ' A' ' 105' ' ' LEU . 80.0 t80 -60.88 -43.59 98.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.483 -0.76 . . . . 0.0 109.575 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -58.71 -41.08 85.48 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.281 -0.887 . . . . 0.0 109.578 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.67 -39.23 93.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.401 -0.812 . . . . 0.0 109.715 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -61.15 -41.41 96.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.103 -0.998 . . . . 0.0 109.397 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.621 HD11 ' CE2' ' A' ' 101' ' ' TYR . 79.0 mt -60.24 -45.05 94.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.212 -0.93 . . . . 0.0 109.402 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -60.85 -39.29 88.57 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.15 -0.969 . . . . 0.0 109.717 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.579 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -61.76 -39.37 91.4 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.215 -0.928 . . . . 0.0 109.986 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 157' ' ' TYR . 78.1 mt -63.7 -44.28 94.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.008 -1.057 . . . . 0.0 109.553 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -79.02 -52.73 7.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.261 -0.899 . . . . 0.0 110.142 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -77.73 -23.33 49.4 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.371 -0.831 . . . . 0.0 110.337 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -112.56 155.46 16.24 Favored Glycine 0 N--CA 1.495 2.581 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -68.11 154.15 73.16 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.876 2.384 . . . . 0.0 111.844 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.571 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 30.1 m-90 -87.1 120.86 28.82 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.075 -1.016 . . . . 0.0 109.784 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.4 m-20 -134.61 166.76 22.17 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.343 -0.848 . . . . 0.0 109.28 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.5 m -64.04 -32.28 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.243 -0.911 . . . . 0.0 109.372 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.4 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.8 mtm -59.79 -41.5 91.29 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.303 -0.873 . . . . 0.0 109.454 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 67.2 mt -66.06 -37.02 84.77 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.246 -0.909 . . . . 0.0 109.178 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.54 ' HE2' HD12 ' A' ' 161' ' ' LEU . 54.8 mttt -57.79 -44.32 86.2 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.16 -0.963 . . . . 0.0 109.056 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -64.17 -40.05 95.29 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.416 -0.803 . . . . 0.0 109.482 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.5 m -61.79 -39.43 91.68 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.311 -0.868 . . . . 0.0 109.408 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.583 HD23 HD13 ' A' ' 158' ' ' LEU . 23.9 tp -63.63 -41.77 98.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.404 -0.81 . . . . 0.0 109.419 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.418 ' CE2' HD21 ' A' ' 158' ' ' LEU . 71.2 m95 -59.83 -39.71 86.01 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.131 -0.981 . . . . 0.0 109.493 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.7 m -63.35 -44.05 95.94 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.241 -0.912 . . . . 0.0 109.585 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 78.3 m -61.31 -46.97 88.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.175 -0.953 . . . . 0.0 109.454 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.19 -37.84 74.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.179 -0.951 . . . . 0.0 108.926 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -58.59 -39.9 81.7 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.271 -0.893 . . . . 0.0 108.955 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.53 -42.42 99.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.308 -0.87 . . . . 0.0 109.351 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -67.29 -42.72 83.3 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.146 -0.971 . . . . 0.0 109.827 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 133' ' ' HIS . 22.9 t -63.67 -43.44 96.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.228 -0.92 . . . . 0.0 110.059 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.634 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 60.2 m -68.31 -49.54 59.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.028 -1.045 . . . . 0.0 110.234 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 93.7 mt -65.97 -50.34 70.46 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.204 -0.935 . . . . 0.0 110.403 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.696 HD21 HE22 ' A' ' 148' ' ' GLN . 41.0 tp -65.51 -42.04 92.49 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.35 -0.844 . . . . 0.0 110.419 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' HIS . . . . . 0.436 ' CB ' ' O ' ' A' ' 129' ' ' SER . 22.7 t-80 -61.07 -49.58 76.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.089 -1.007 . . . . 0.0 110.477 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 134' ' ' LEU . 34.8 tp -64.99 -43.54 92.24 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.05 -1.031 . . . . 0.0 109.728 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -87.21 0.92 54.6 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.4 -0.812 . . . . 0.0 110.354 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -52.26 -38.46 58.27 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.129 -0.982 . . . . 0.0 109.998 -179.416 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.84 -25.12 68.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.152 -0.967 . . . . 0.0 109.48 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -89.57 -4.53 57.82 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.231 -0.918 . . . . 0.0 110.21 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.2 mm -104.57 145.99 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.15 -0.969 . . . . 0.0 109.206 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 55.7 p -77.4 155.54 31.77 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.233 -0.917 . . . . 0.0 109.139 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.51 -37.97 73.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.231 -0.918 . . . . 0.0 109.717 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.0 m -74.0 -45.25 51.09 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.89 -1.131 . . . . 0.0 109.502 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.3 m -63.81 -45.51 89.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.892 . . . . 0.0 109.646 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.584 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.7 OUTLIER -62.04 -39.16 91.38 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.128 -0.982 . . . . 0.0 108.477 179.387 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ASN . . . . . 0.426 ' N ' ' CG2' ' A' ' 144' ' ' THR . 18.4 t-20 -56.48 -42.37 78.14 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.348 -0.845 . . . . 0.0 109.063 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.1 m -61.53 -44.79 96.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.3 -0.875 . . . . 0.0 109.675 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 147' ' ' LEU . 7.0 mp -62.37 -38.95 91.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.141 -0.975 . . . . 0.0 108.695 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.696 HE22 HD21 ' A' ' 132' ' ' LEU . 0.2 OUTLIER -62.2 -36.82 83.09 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.342 -0.849 . . . . 0.0 109.058 179.3 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -62.27 -42.03 98.99 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.281 -0.887 . . . . 0.0 109.713 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -62.71 -42.45 99.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.088 -1.007 . . . . 0.0 108.976 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.505 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 89.1 mt -65.23 -40.67 89.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -58.55 -39.94 81.65 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.568 ' HA ' HD12 ' A' ' 156' ' ' ILE . 77.0 t80 -58.12 -42.73 86.38 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' CYS . . . . . 0.681 ' SG ' ' N ' ' A' ' 155' ' ' LYS . 1.6 p -64.68 -48.76 73.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.256 -0.903 . . . . 0.0 108.724 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' LYS . . . . . 0.681 ' N ' ' SG ' ' A' ' 154' ' ' CYS . 74.9 mttt -61.75 -35.07 77.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.235 -0.916 . . . . 0.0 109.043 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 153' ' ' TYR . 21.3 mt -58.33 -48.52 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 O-C-N 121.288 -0.882 . . . . 0.0 109.731 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.571 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 58.8 t80 -63.66 -40.91 98.02 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.583 HD13 HD23 ' A' ' 121' ' ' LEU . 30.6 tp -60.24 -40.43 90.24 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.64 -0.663 . . . . 0.0 109.22 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.3 t -60.46 -39.58 88.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.21 -0.931 . . . . 0.0 108.677 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -61.51 -37.37 83.45 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.54 HD12 ' HE2' ' A' ' 118' ' ' LYS . 3.1 mm? -61.88 -38.16 87.28 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.53 86.91 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.425 -0.797 . . . . 0.0 109.111 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -81.77 -12.09 58.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.303 -0.873 . . . . 0.0 109.37 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.61 3.61 77.44 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -94.73 145.71 24.68 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.212 -1.169 . . . . 0.0 109.69 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.409 HG21 ' CH2' ' A' ' 113' ' ' TRP . 41.6 mm . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.481 -0.762 . . . . 0.0 109.456 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 192' ' ' GLU . . . . . 0.58 ' OE2' HG21 ' A' ' 46' ' ' THR . 98.7 mt-10 . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -61.75 -40.6 95.69 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.23 -0.919 . . . . 0.0 109.073 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -61.3 -42.14 98.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.333 -0.854 . . . . 0.0 109.381 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 195' ' ' LEU . . . . . 0.655 HD11 HD23 ' A' ' 53' ' ' LEU . 22.8 tp -59.22 -43.24 92.33 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.261 -0.899 . . . . 0.0 109.153 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.27 95.47 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.389 -0.82 . . . . 0.0 109.028 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.12 -35.29 80.65 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.348 -0.845 . . . . 0.0 109.091 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -60.07 -44.15 94.96 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 109.093 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 199' ' ' LEU . . . . . 0.695 HD22 HG21 ' A' ' 32' ' ' VAL . 8.1 tp -63.27 -43.01 99.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.194 -0.942 . . . . 0.0 109.21 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -59.02 -36.77 75.54 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.324 -0.86 . . . . 0.0 109.356 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.64 89.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.148 -0.97 . . . . 0.0 108.608 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 202' ' ' LEU . . . . . 0.445 HD11 ' HE2' ' A' ' 60' ' ' LYS . 13.7 tp -61.48 -38.49 87.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.526 -0.733 . . . . 0.0 109.197 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -87.7 -7.27 57.6 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.41 -0.806 . . . . 0.0 109.454 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 CA-C-O 117.911 -1.494 . . . . 0.0 109.531 179.912 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mtp . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.314 0.578 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.19 83.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.214 -0.929 . . . . 0.0 109.192 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.9 p -64.47 -34.92 79.33 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.156 -0.965 . . . . 0.0 108.947 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -58.94 -42.36 89.6 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.795 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.91 -39.75 94.89 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.17 95.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.414 -0.804 . . . . 0.0 109.226 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -41.53 93.26 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.48 -37.15 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.461 -0.775 . . . . 0.0 109.045 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.83 -37.81 77.4 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.73 98.44 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.1 p -68.94 -33.42 73.69 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.403 -0.811 . . . . 0.0 108.822 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.447 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -58.92 -44.96 91.39 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.339 -0.851 . . . . 0.0 109.075 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -63.43 -44.7 93.79 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.242 -0.911 . . . . 0.0 108.993 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -61.79 -40.27 94.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.387 -0.821 . . . . 0.0 109.168 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.01 -41.71 98.36 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.463 -0.773 . . . . 0.0 109.244 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -58.8 -38.6 78.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.279 -0.888 . . . . 0.0 108.77 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -60.46 -29.34 68.98 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 18' ' ' VAL . 59.1 t -83.52 -10.95 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.413 -0.804 . . . . 0.0 109.61 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.4 18.22 53.23 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.8 mt -95.7 54.23 1.52 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -1.127 . . . . 0.0 109.119 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.07 -34.44 66.23 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 22' ' ' ILE . 9.3 mm -61.33 -51.64 70.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.124 -1.221 . . . . 0.0 109.756 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.2 mm -64.88 -44.14 96.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.31 -0.868 . . . . 0.0 109.304 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.533 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.18 -38.91 93.83 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.89 ' CE2' HD11 ' A' ' 29' ' ' LEU . 72.8 t80 -63.96 -47.43 80.47 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.041 -1.27 . . . . 0.0 110.765 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.655 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 54.0 t80 -60.59 -46.62 89.57 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.195 -0.941 . . . . 0.0 111.455 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.533 HD21 ' HA2' ' A' ' 24' ' ' GLY . 2.2 pp -67.56 -34.13 76.44 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.717 -1.239 . . . . 0.0 110.232 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.918 ' NE2' HD11 ' A' ' 52' ' ' LEU . 25.5 mm100 -60.08 -39.99 88.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.601 -1.312 . . . . 0.0 108.215 178.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.89 HD11 ' CE2' ' A' ' 25' ' ' TYR . 90.6 mt -61.93 -39.19 91.21 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.657 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 87.6 t80 -64.82 -38.29 90.49 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.51 -0.744 . . . . 0.0 109.848 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.3 -45.91 92.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.191 -0.943 . . . . 0.0 110.106 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.618 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -66.88 -44.64 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.927 -1.108 . . . . 0.0 109.266 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.61 -34.14 73.8 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.047 -1.033 . . . . 0.0 108.746 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.795 HD23 ' HB2' ' A' ' 5' ' ' ALA . 22.3 tp -63.88 -42.68 97.42 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.281 -0.887 . . . . 0.0 109.418 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.11 -47.28 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.267 -0.895 . . . . 0.0 109.9 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.9 mp -62.8 -35.4 79.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.195 -0.941 . . . . 0.0 109.261 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.9 t -84.26 -0.75 53.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -0.902 . . . . 0.0 108.794 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.445 ' HG2' ' HE ' ' A' ' 41' ' ' ARG . 49.0 tp10 -86.29 150.77 24.12 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.612 -0.68 . . . . 0.0 109.822 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -55.98 151.46 11.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.327 -0.858 . . . . 0.0 109.146 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -57.84 129.52 42.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 110.263 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.445 ' HE ' ' HG2' ' A' ' 38' ' ' GLU . 95.5 mtt-85 -122.07 170.63 9.66 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.3 p -57.76 163.57 2.52 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.198 -0.939 . . . . 0.0 109.749 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -57.6 -27.65 62.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.642 -0.661 . . . . 0.0 110.89 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -52.99 -45.39 67.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.786 -1.196 . . . . 0.0 109.799 -178.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 50.0 tpp -68.36 -36.93 79.96 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.95 -1.094 . . . . 0.0 108.921 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.1 m -59.67 -40.94 89.46 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.413 -0.804 . . . . 0.0 109.13 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.56 97.91 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.257 -0.902 . . . . 0.0 108.826 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.2 tp -60.11 -39.26 85.58 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.346 -0.847 . . . . 0.0 109.201 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.86 92.66 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.347 -0.846 . . . . 0.0 109.25 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 m -60.43 -41.65 94.45 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.217 -0.927 . . . . 0.0 108.952 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.86 -38.08 86.91 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.349 -0.845 . . . . 0.0 108.877 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.918 HD11 ' NE2' ' A' ' 28' ' ' GLN . 32.9 tp -59.79 -42.85 94.3 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.289 -0.882 . . . . 0.0 109.261 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.451 HD12 HD12 ' A' ' 56' ' ' ILE . 37.3 tp -61.26 -38.99 88.7 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.221 -0.924 . . . . 0.0 108.715 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -59.6 -39.55 84.58 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 59' ' ' PHE . 53.3 m -60.42 -41.8 94.71 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.633 -0.667 . . . . 0.0 109.385 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.451 HD12 HD12 ' A' ' 53' ' ' LEU . 87.7 mt -61.58 -54.42 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.208 -0.932 . . . . 0.0 109.162 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' OE2' ' NZ ' ' A' ' 61' ' ' LYS . 85.0 tt0 -63.32 -39.44 94.55 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.43 -31.66 70.14 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.484 -0.76 . . . . 0.0 108.983 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 55' ' ' THR . 70.3 t80 -59.02 -54.35 48.08 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.325 -0.859 . . . . 0.0 109.754 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.486 ' HE3' HD11 ' B' ' 202' ' ' LEU . 25.4 mttt -62.82 -44.14 96.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.078 -1.014 . . . . 0.0 109.594 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.429 ' NZ ' ' OE2' ' A' ' 57' ' ' GLU . 18.4 mttt -83.15 -2.48 55.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.418 -0.801 . . . . 0.0 110.521 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 58' ' ' ALA . 84.5 tt0 -49.33 -36.56 21.61 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.077 -1.015 . . . . 0.0 109.543 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.603 ' CD1' HD21 ' A' ' 76' ' ' LEU . 92.7 mt -78.54 -41.21 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.801 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.82 -6.05 59.98 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.54 -8.47 77.22 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -69.08 -42.7 75.85 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.127 -1.219 . . . . 0.0 109.809 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.0 t -61.21 -22.25 64.59 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.401 -0.812 . . . . 0.0 110.112 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -52.8 -27.82 19.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.195 -0.941 . . . . 0.0 109.355 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.56 -26.85 34.66 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.11 -0.994 . . . . 0.0 108.918 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.601 ' O ' ' N ' ' A' ' 72' ' ' SER . 95.4 mt-10 -108.43 176.69 5.03 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.541 -0.724 . . . . 0.0 109.711 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' GLU . 92.4 m-20 -43.12 -15.22 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.484 -0.76 . . . . 0.0 109.92 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.601 ' N ' ' O ' ' A' ' 70' ' ' GLU . 1.8 t -50.41 -32.13 16.84 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.988 -1.07 . . . . 0.0 108.73 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.402 ' HA ' HD12 ' A' ' 76' ' ' LEU . 56.7 t0 -58.57 -41.46 85.75 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -60.77 -40.71 93.58 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -60.47 -37.4 80.88 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.603 HD21 ' CD1' ' A' ' 63' ' ' ILE . 97.3 mt -60.34 -40.33 90.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.351 -0.843 . . . . 0.0 109.023 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -60.72 -45.38 94.49 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.092 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.66 -48.93 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.28 -0.888 . . . . 0.0 109.89 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 89.3 mtp -66.93 -45.36 78.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.314 -0.866 . . . . 0.0 110.433 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.511 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 84.5 m-20 -63.02 -39.87 96.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.024 -1.048 . . . . 0.0 110.58 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.529 HG23 ' HZ2' ' A' ' 88' ' ' LYS . 63.2 m -64.75 -48.47 74.45 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.066 -1.021 . . . . 0.0 111.185 -178.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.1 mt -72.88 -34.08 66.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.054 -1.029 . . . . 0.0 110.974 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.9 mt -77.53 -41.54 29.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.0 -1.062 . . . . 0.0 111.062 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.511 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 64.5 m80 -67.52 -47.68 69.25 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.065 -1.022 . . . . 0.0 111.044 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -84.15 115.33 22.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.872 -1.143 . . . . 0.0 110.138 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -61.9 -37.95 86.53 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.396 -0.815 . . . . 0.0 109.869 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.6 -43.5 98.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.072 -1.017 . . . . 0.0 109.623 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.529 ' HZ2' HG23 ' A' ' 81' ' ' THR . 96.0 mttt -63.97 -32.96 74.68 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.167 -0.958 . . . . 0.0 108.854 179.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.61 -40.85 72.92 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.225 -0.922 . . . . 0.0 109.608 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.515 ' HG3' HG23 ' A' ' 131' ' ' ILE . 3.8 ttpt -64.3 -48.46 75.57 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.346 -0.846 . . . . 0.0 109.972 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.681 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -69.39 -39.02 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.386 -0.821 . . . . 0.0 109.341 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.681 ' N ' HD12 ' A' ' 91' ' ' ILE . 59.8 t80 -58.78 -45.41 89.87 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.655 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 83.7 mtp -64.44 -38.6 91.61 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.328 -0.858 . . . . 0.0 109.232 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.6 tp -60.97 -39.55 90.01 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.068 -1.02 . . . . 0.0 109.391 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -66.86 -49.18 66.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.205 -0.935 . . . . 0.0 110.081 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.513 ' CE1' ' CZ ' ' A' ' 92' ' ' TYR . 59.0 m-85 -79.05 -49.2 13.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.257 -0.902 . . . . 0.0 109.94 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.527 ' N ' ' O ' ' A' ' 93' ' ' MET . 20.6 m -52.8 -42.75 65.36 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.098 -1.002 . . . . 0.0 108.576 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 52.8 ttm -65.26 -39.69 92.96 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 83.8 p -64.13 -34.12 77.34 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.454 -0.778 . . . . 0.0 109.39 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 100' ' ' LEU . 85.8 mt -63.46 -43.69 96.64 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.142 -0.974 . . . . 0.0 109.323 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.671 ' CE2' HD11 ' A' ' 105' ' ' LEU . 88.3 t80 -61.33 -44.33 97.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.908 . . . . 0.0 109.78 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -58.84 -39.94 82.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.22 -0.925 . . . . 0.0 109.377 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -61.79 -41.09 97.29 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.353 -0.842 . . . . 0.0 109.631 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.559 ' HZ1' ' C ' ' A' ' 120' ' ' SER . 31.7 mmtp -61.34 -40.87 95.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.143 -0.973 . . . . 0.0 109.501 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.671 HD11 ' CE2' ' A' ' 101' ' ' TYR . 75.9 mt -58.67 -45.76 88.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.116 -0.99 . . . . 0.0 109.124 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -62.61 -39.76 94.8 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.195 -0.941 . . . . 0.0 109.923 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.3 mt-30 -62.25 -41.6 98.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.183 -0.948 . . . . 0.0 110.041 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 161' ' ' LEU . 83.8 mt -67.53 -37.35 82.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.867 -1.146 . . . . 0.0 109.318 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.565 ' NZ ' ' OD1' ' A' ' 110' ' ' ASP . 15.7 ttpp -74.47 -52.62 11.47 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.477 -0.764 . . . . 0.0 110.772 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.565 ' OD1' ' NZ ' ' A' ' 109' ' ' LYS . 89.7 m-20 -98.1 -22.46 16.21 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.293 -0.88 . . . . 0.0 110.715 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.82 155.34 17.75 Favored Glycine 0 N--CA 1.494 2.517 0 C-N-CA 119.673 -1.251 . . . . 0.0 110.315 -178.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -69.74 154.21 68.07 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.93 2.42 . . . . 0.0 112.065 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.504 ' CD1' ' N ' ' A' ' 113' ' ' TRP . 0.8 OUTLIER -89.17 122.65 32.67 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.171 -0.956 . . . . 0.0 109.551 -179.807 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 42.4 t0 -135.12 164.87 26.68 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.298 -0.876 . . . . 0.0 109.26 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.468 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 4.2 m -61.66 -32.19 53.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.379 -0.825 . . . . 0.0 109.707 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.426 ' N ' HG23 ' A' ' 115' ' ' VAL . 68.3 mtm -59.59 -40.45 87.45 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.271 -0.893 . . . . 0.0 109.855 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 71.4 mt -65.11 -38.15 89.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.182 -0.949 . . . . 0.0 109.547 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -61.87 -42.37 98.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.294 -0.879 . . . . 0.0 109.784 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -63.67 -43.16 97.51 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.27 -0.894 . . . . 0.0 109.806 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.559 ' C ' ' HZ1' ' A' ' 104' ' ' LYS . 18.8 m -63.17 -39.45 94.69 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.333 -0.854 . . . . 0.0 109.597 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.805 HD23 HD13 ' A' ' 158' ' ' LEU . 38.0 tp -62.92 -41.35 99.44 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.25 -0.906 . . . . 0.0 109.463 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.647 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 65.4 m95 -60.33 -39.54 87.43 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.203 -0.935 . . . . 0.0 109.271 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 76.6 m -62.08 -45.19 94.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.234 -0.916 . . . . 0.0 109.488 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 82.4 m -61.28 -48.19 82.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.14 -0.975 . . . . 0.0 109.659 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 71.1 mt -60.35 -36.66 70.43 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 O-C-N 121.192 -0.943 . . . . 0.0 108.892 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.93 -39.72 82.42 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.293 -0.88 . . . . 0.0 108.779 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.35 -40.89 97.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.262 -0.899 . . . . 0.0 109.084 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.423 ' CE2' HG22 ' A' ' 97' ' ' THR . 35.5 m-85 -64.09 -42.63 96.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.275 -0.891 . . . . 0.0 109.805 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.8 t -61.72 -42.15 98.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.113 -0.992 . . . . 0.0 109.813 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.657 ' SG ' ' CD1' ' A' ' 30' ' ' TYR . 60.0 m -68.47 -49.2 61.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.145 -0.972 . . . . 0.0 110.093 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.515 HG23 ' HG3' ' A' ' 90' ' ' LYS . 94.8 mt -62.7 -50.4 79.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 O-C-N 121.17 -0.956 . . . . 0.0 110.439 -179.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.6 ' CD1' HD11 ' A' ' 151' ' ' ILE . 85.2 mt -67.22 -39.32 86.24 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.237 -0.914 . . . . 0.0 110.355 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -62.33 -49.65 74.73 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.134 -0.979 . . . . 0.0 110.269 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 35.0 tp -65.98 -42.81 89.35 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.058 -1.026 . . . . 0.0 109.802 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -86.86 1.36 52.71 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.292 -0.88 . . . . 0.0 110.272 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 132' ' ' LEU . 28.3 tptp -51.16 -37.77 48.25 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.178 -0.951 . . . . 0.0 109.981 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -63.92 -24.01 67.57 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.067 -1.021 . . . . 0.0 109.495 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -92.2 -3.08 56.08 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.204 -0.935 . . . . 0.0 110.487 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.9 mm -103.99 139.43 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.033 -1.042 . . . . 0.0 109.568 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 52.1 p -77.86 155.97 30.68 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.383 -0.823 . . . . 0.0 108.998 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -50.62 -50.37 54.38 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.034 -1.041 . . . . 0.0 109.624 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 38.8 m -67.08 -42.68 84.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.975 -1.078 . . . . 0.0 109.246 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.4 t -59.16 -38.28 79.38 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.284 -0.885 . . . . 0.0 108.758 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.574 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -63.9 -39.17 93.57 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.196 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -58.79 -40.75 84.96 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.351 -0.843 . . . . 0.0 109.118 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.3 m -62.93 -48.64 78.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -0.868 . . . . 0.0 109.658 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 56.1 mt -65.54 -43.45 89.93 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.205 -0.934 . . . . 0.0 108.796 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.587 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -64.37 -33.47 75.92 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -60.25 -44.45 95.26 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.354 -0.841 . . . . 0.0 109.109 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -62.81 -41.67 99.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.178 -0.951 . . . . 0.0 108.934 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.6 HD11 ' CD1' ' A' ' 132' ' ' LEU . 84.8 mt -62.73 -39.5 85.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.333 -0.855 . . . . 0.0 108.887 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -57.53 -41.52 81.05 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -58.34 -41.65 85.07 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' CYS . . . . . 0.669 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 70.2 m -62.85 -50.86 69.26 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.436 -0.79 . . . . 0.0 108.88 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -62.64 -37.54 86.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.313 -0.867 . . . . 0.0 109.322 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 31.7 mt -58.54 -48.66 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 O-C-N 121.246 -0.909 . . . . 0.0 110.146 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.554 ' CE2' HD11 ' A' ' 166' ' ' ILE . 1.6 t80 -63.62 -40.77 97.73 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.805 HD13 HD23 ' A' ' 121' ' ' LEU . 38.5 tp -58.93 -40.34 84.31 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.5 m -61.96 -37.15 83.68 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.361 -0.837 . . . . 0.0 108.98 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 165' ' ' GLU . 34.8 mttm -61.03 -43.2 99.24 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.276 -0.89 . . . . 0.0 109.181 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 108' ' ' LEU . 8.5 mp -68.52 -33.32 73.92 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.223 -0.923 . . . . 0.0 109.32 179.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.9 82.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -0.912 . . . . 0.0 109.259 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -85.16 -5.8 59.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.207 -0.933 . . . . 0.0 109.213 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.3 -2.64 78.68 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 160' ' ' LYS . 84.2 tt0 -95.46 148.44 22.48 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.336 -1.096 . . . . 0.0 109.51 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.554 HD11 ' CE2' ' A' ' 157' ' ' TYR . 8.3 tp . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.463 -0.773 . . . . 0.0 109.433 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -59.65 -43.03 94.04 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.313 -0.867 . . . . 0.0 109.23 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -62.96 -43.28 99.24 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.172 -0.955 . . . . 0.0 109.196 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.57 -41.4 98.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.383 -0.823 . . . . 0.0 108.896 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.87 81.74 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.308 -0.87 . . . . 0.0 109.406 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -64.48 -35.78 82.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.13 -0.981 . . . . 0.0 109.254 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -66.47 -42.99 86.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.082 -1.011 . . . . 0.0 109.215 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 199' ' ' LEU . . . . . 0.618 HD22 HG21 ' A' ' 32' ' ' VAL . 7.9 tp -67.61 -47.2 70.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.378 -0.826 . . . . 0.0 109.763 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -60.02 -36.35 77.04 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.146 -0.971 . . . . 0.0 109.427 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.34 86.2 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.192 -0.943 . . . . 0.0 108.663 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 202' ' ' LEU . . . . . 0.486 HD11 ' HE3' ' A' ' 60' ' ' LYS . 18.8 tp -61.87 -38.8 89.63 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.391 -0.818 . . . . 0.0 109.233 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -94.87 0.26 54.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 0.0 109.451 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 118.032 -1.427 . . . . 0.0 109.588 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.618 ' HB1' ' CE ' ' A' ' 45' ' ' MET . . . -59.85 -39.04 83.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.184 -0.948 . . . . 0.0 109.127 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -63.47 -39.17 93.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.231 -0.918 . . . . 0.0 109.035 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.85 -40.12 79.36 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.9 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.67 -39.68 94.09 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.71 95.83 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.498 -0.751 . . . . 0.0 109.251 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.646 ' NH2' ' SG ' ' A' ' 123' ' ' CYS . 0.0 OUTLIER -60.33 -43.16 96.66 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.182 -0.949 . . . . 0.0 108.557 179.547 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.466 ' CG1' HD13 ' A' ' 27' ' ' LEU . 46.2 t -61.05 -37.1 76.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 121.455 -0.778 . . . . 0.0 108.979 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.49 -37.84 76.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.03 -41.14 96.0 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.433 ' H ' HG23 ' A' ' 11' ' ' THR . 9.3 p -70.57 -35.29 72.99 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.401 -0.812 . . . . 0.0 108.841 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.625 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -56.31 -48.2 77.18 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.368 -0.832 . . . . 0.0 108.794 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -63.57 -38.34 90.74 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.287 -0.883 . . . . 0.0 108.837 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.435 ' O ' HG23 ' A' ' 18' ' ' VAL . 55.9 t0 -60.01 -41.85 93.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.357 -0.839 . . . . 0.0 109.779 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -62.95 -41.29 99.46 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.225 -0.922 . . . . 0.0 109.554 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -58.73 -40.12 82.85 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.141 -0.974 . . . . 0.0 109.056 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -62.23 -32.85 73.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.375 -0.828 . . . . 0.0 109.586 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 14' ' ' ASP . 15.8 t -84.44 -8.2 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.382 -0.824 . . . . 0.0 109.655 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.62 7.68 68.72 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 20' ' ' LEU . 11.1 mp -95.95 49.85 1.17 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.259 -1.142 . . . . 0.0 109.035 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.48 -29.05 52.72 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.6 mm -58.33 -48.68 84.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 121.161 -1.199 . . . . 0.0 109.737 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mm -65.44 -45.44 92.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.073 -1.017 . . . . 0.0 109.37 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.567 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.97 -37.32 92.49 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.882 ' CE2' HD11 ' A' ' 29' ' ' LEU . 68.8 t80 -64.38 -47.64 78.48 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.341 -1.094 . . . . 0.0 111.002 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.668 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 81.0 t80 -62.4 -47.09 85.67 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.049 -1.032 . . . . 0.0 111.098 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.625 HD11 ' HB2' ' A' ' 12' ' ' ALA . 3.3 pp -67.45 -32.53 73.45 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.782 -1.198 . . . . 0.0 109.295 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.562 ' N ' HD12 ' A' ' 27' ' ' LEU . 7.8 tp-100 -59.97 -41.91 92.98 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.882 HD11 ' CE2' ' A' ' 25' ' ' TYR . 87.4 mt -61.66 -37.89 85.7 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 178.289 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.662 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 79.4 t80 -64.99 -36.59 84.88 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.335 -0.853 . . . . 0.0 109.296 179.161 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.31 -46.05 91.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.341 -0.849 . . . . 0.0 110.251 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.794 HG21 HD22 ' B' ' 199' ' ' LEU . 1.5 p -64.69 -42.27 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.875 -1.141 . . . . 0.0 109.195 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.6 -35.52 78.08 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.904 -1.122 . . . . 0.0 108.875 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.9 HD23 ' HB2' ' A' ' 5' ' ' ALA . 27.0 tp -64.29 -42.24 96.49 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.297 -0.877 . . . . 0.0 109.93 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.38 -48.29 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.157 -0.965 . . . . 0.0 110.122 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.6 mp -65.52 -36.49 84.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.293 -0.88 . . . . 0.0 109.396 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.2 p -75.19 -20.12 59.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.244 -0.91 . . . . 0.0 108.79 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.525 ' OE2' ' NE ' ' A' ' 41' ' ' ARG . 84.3 tt0 -80.56 150.78 29.44 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.772 -0.58 . . . . 0.0 109.738 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.53 150.18 15.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -0.9 . . . . 0.0 109.531 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -58.44 141.05 52.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.418 -0.802 . . . . 0.0 110.32 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.525 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 83.6 mtt-85 -122.48 170.52 9.9 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.674 -0.641 . . . . 0.0 109.42 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 p -57.53 169.57 0.65 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.17 -0.956 . . . . 0.0 109.867 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.47 -32.08 64.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.539 -0.726 . . . . 0.0 110.716 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.85 -41.92 58.29 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.889 -1.132 . . . . 0.0 109.213 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.618 ' CE ' ' HB1' ' A' ' 2' ' ' ALA . 7.5 tpt -64.56 -38.98 92.87 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.281 -0.887 . . . . 0.0 108.778 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.5 m -60.99 -40.01 91.84 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.561 -0.712 . . . . 0.0 109.458 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.87 99.62 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.305 -0.872 . . . . 0.0 109.004 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 48' ' ' LEU . 87.2 mt -62.43 -37.23 85.05 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.314 -0.866 . . . . 0.0 109.111 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.89 92.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.25 -0.906 . . . . 0.0 108.805 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.0 m -61.63 -40.97 96.76 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.447 -0.783 . . . . 0.0 109.135 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.01 -41.71 97.06 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.314 -0.866 . . . . 0.0 109.243 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.4 mt -60.79 -39.34 88.52 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.19 -0.943 . . . . 0.0 109.077 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.661 HD22 HD11 ' B' ' 195' ' ' LEU . 19.3 tp -60.38 -40.08 89.57 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.202 -0.936 . . . . 0.0 108.757 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -59.91 -40.42 88.79 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.7 m -60.42 -41.2 93.48 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.574 -0.704 . . . . 0.0 109.488 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.555 HG21 HD22 ' B' ' 202' ' ' LEU . 78.2 mt -58.64 -51.69 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.937 . . . . 0.0 108.953 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.96 -36.51 81.66 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -68.56 -31.37 70.53 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' THR . 72.9 t80 -58.52 -53.97 52.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.343 -0.848 . . . . 0.0 108.974 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.89 -39.86 93.4 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.113 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -82.41 -1.98 51.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.393 -0.817 . . . . 0.0 109.988 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 58' ' ' ALA . 20.1 pt-20 -49.1 -31.1 7.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.198 -0.938 . . . . 0.0 110.157 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.1 pt -68.25 -34.02 63.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.05 -1.031 . . . . 0.0 109.75 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.32 -3.99 13.92 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.41 0.18 65.31 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.2 -45.37 85.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.141 -1.211 . . . . 0.0 109.436 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.8 m -62.6 -31.57 72.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.432 -0.792 . . . . 0.0 109.308 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.64 -28.59 67.36 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.398 -0.814 . . . . 0.0 109.814 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.08 97.43 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.062 -1.024 . . . . 0.0 110.283 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -134.68 145.38 48.48 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.286 -0.883 . . . . 0.0 109.968 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 48.64 42.62 19.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.286 -0.884 . . . . 0.0 109.182 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.8 p -63.32 -38.41 91.06 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.314 -0.866 . . . . 0.0 110.163 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -62.85 -41.91 99.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.031 -1.043 . . . . 0.0 109.878 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -65.03 -44.95 87.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.283 -0.885 . . . . 0.0 110.593 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.8 p -64.85 -41.49 95.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.991 -1.068 . . . . 0.0 110.134 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 96.2 mt -68.26 -38.26 81.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 109.922 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -61.66 -45.54 93.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.282 -0.886 . . . . 0.0 110.302 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.4 t -69.28 -49.61 59.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.2 -0.937 . . . . 0.0 110.118 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 89.1 mtp -67.62 -46.32 72.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.036 -1.04 . . . . 0.0 110.127 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.602 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 56.9 t-20 -66.54 -44.01 83.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.34 -0.85 . . . . 0.0 111.034 -179.123 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.1 m -68.91 -48.99 61.96 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.169 -0.957 . . . . 0.0 111.96 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.5 mt -72.38 -34.15 67.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.85 -1.157 . . . . 0.0 111.508 -178.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.7 mt -79.28 -42.3 23.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 120.95 -1.094 . . . . 0.0 111.339 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.602 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 72.9 m80 -74.58 -48.16 28.3 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.014 -1.054 . . . . 0.0 111.306 -178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -85.07 110.64 19.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.799 -1.188 . . . . 0.0 109.997 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -61.76 -36.52 81.28 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.474 -0.766 . . . . 0.0 110.148 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.84 -43.35 94.66 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.096 -1.002 . . . . 0.0 109.8 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -64.01 -33.22 75.25 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.125 -0.984 . . . . 0.0 108.532 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.76 75.48 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.202 -0.936 . . . . 0.0 109.569 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.594 ' NZ ' ' CG ' ' A' ' 135' ' ' TRP . 16.8 tttp -62.23 -48.69 78.84 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.155 -0.966 . . . . 0.0 111.071 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.094 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -64.95 -38.45 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 120.618 -1.301 . . . . 0.0 108.76 -178.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 1.094 ' N ' HD13 ' A' ' 91' ' ' ILE . 61.6 t80 -63.09 -43.8 97.49 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.003 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.668 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 73.9 mtm -70.38 -41.54 72.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.612 -0.68 . . . . 0.0 110.001 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.06 -40.61 94.32 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.092 -1.005 . . . . 0.0 109.213 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -63.02 -45.69 91.12 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.373 -0.829 . . . . 0.0 109.482 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.454 ' HE2' HD22 ' A' ' 100' ' ' LEU . 65.8 t80 -65.0 -43.05 93.81 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.39 -0.819 . . . . 0.0 109.598 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 93' ' ' MET . 64.8 p -59.76 -43.44 94.32 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.332 -0.855 . . . . 0.0 109.735 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.9 ttp -63.6 -44.84 92.82 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.251 -0.906 . . . . 0.0 109.036 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.7 t -68.82 -42.18 77.57 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.435 -0.79 . . . . 0.0 109.896 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.454 HD22 ' HE2' ' A' ' 96' ' ' PHE . 29.6 tp -65.13 -41.56 94.7 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.304 -0.872 . . . . 0.0 110.143 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.761 ' CE2' HD11 ' A' ' 105' ' ' LEU . 87.2 t80 -63.72 -45.69 88.81 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.2 -0.937 . . . . 0.0 110.146 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -59.61 -41.46 90.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.15 -0.969 . . . . 0.0 109.639 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.23 -40.86 95.62 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.311 -0.868 . . . . 0.0 109.738 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -62.36 -40.98 98.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.252 -0.905 . . . . 0.0 109.932 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.761 HD11 ' CE2' ' A' ' 101' ' ' TYR . 82.3 mt -59.36 -44.73 92.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.135 -0.978 . . . . 0.0 109.356 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -60.75 -38.88 86.68 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.193 -0.942 . . . . 0.0 109.695 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.7 mt-30 -62.17 -39.61 93.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.255 -0.903 . . . . 0.0 109.992 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 63.1 mt -66.11 -37.85 86.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.978 -1.076 . . . . 0.0 109.506 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -78.02 -53.0 7.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.316 -0.865 . . . . 0.0 110.446 -179.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -89.6 -22.71 22.21 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.281 -0.887 . . . . 0.0 110.65 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -102.89 154.58 18.26 Favored Glycine 0 N--CA 1.493 2.49 0 C-N-CA 119.698 -1.239 . . . . 0.0 110.289 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.84 154.34 63.52 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 122.938 2.425 . . . . 0.0 111.983 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.586 ' CE2' ' OH ' ' A' ' 157' ' ' TYR . 25.9 m-90 -86.95 122.35 30.68 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.208 -0.932 . . . . 0.0 109.482 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 86.9 m-20 -134.64 166.09 23.72 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.357 -0.839 . . . . 0.0 109.366 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 116' ' ' MET . 12.6 m -64.1 -32.6 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.282 -0.887 . . . . 0.0 109.333 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.407 ' N ' HG23 ' A' ' 115' ' ' VAL . 0.8 OUTLIER -59.64 -40.8 88.84 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.415 -0.803 . . . . 0.0 109.647 -179.293 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.91 -37.71 88.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.393 -0.817 . . . . 0.0 109.514 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -59.48 -44.09 93.12 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.182 -0.949 . . . . 0.0 109.387 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.403 HH12 ' HB ' ' A' ' 115' ' ' VAL . 68.4 mtt85 -63.77 -40.56 96.99 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.27 -0.894 . . . . 0.0 109.511 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.0 p -64.8 -34.43 78.33 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.235 -0.916 . . . . 0.0 109.262 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.548 HD23 HD13 ' A' ' 158' ' ' LEU . 27.2 tp -64.82 -42.49 94.94 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.38 -0.825 . . . . 0.0 109.245 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -60.95 -40.28 92.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.282 -0.886 . . . . 0.0 109.338 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.646 ' SG ' ' NH2' ' A' ' 7' ' ' ARG . 73.2 m -62.07 -43.19 99.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.188 -0.945 . . . . 0.0 109.55 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.408 ' SG ' HD23 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -62.0 -46.96 86.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.197 -0.939 . . . . 0.0 109.845 -179.787 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.8 mt -60.34 -38.82 78.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.147 -0.971 . . . . 0.0 109.178 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.524 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.3 m-20 -61.57 -40.56 95.16 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.307 -0.871 . . . . 0.0 109.859 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.24 -45.06 95.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.127 -0.983 . . . . 0.0 109.874 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.546 ' CD1' HD11 ' A' ' 151' ' ' ILE . 30.2 t80 -72.05 -43.13 65.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.126 -0.984 . . . . 0.0 109.56 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.5 m -63.11 -38.64 91.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.298 -0.876 . . . . 0.0 109.92 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.662 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 82.8 m -65.98 -49.46 67.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.145 -0.972 . . . . 0.0 109.765 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.78 -47.73 89.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.19 -0.944 . . . . 0.0 109.699 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 136' ' ' LYS . 39.5 tp -61.74 -38.98 89.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.354 -0.842 . . . . 0.0 109.798 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -60.36 -49.65 76.74 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.256 -0.902 . . . . 0.0 110.258 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.13 -42.95 88.44 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.174 -0.954 . . . . 0.0 109.703 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.594 ' CG ' ' NZ ' ' A' ' 90' ' ' LYS . 97.1 m95 -86.93 2.46 49.24 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.27 -0.894 . . . . 0.0 109.919 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 132' ' ' LEU . 19.7 tptm -51.53 -38.44 54.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.227 -0.921 . . . . 0.0 110.099 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.84 -21.9 66.01 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.238 -0.913 . . . . 0.0 109.778 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -92.16 -6.24 51.1 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.157 -0.964 . . . . 0.0 110.661 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.8 mm -104.63 146.86 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.158 -0.964 . . . . 0.0 109.48 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.8 m -77.01 155.06 32.85 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.325 -0.859 . . . . 0.0 109.207 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -57.36 -39.13 75.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.162 -0.961 . . . . 0.0 109.858 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 41.1 m -75.18 -45.08 42.91 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.78 -1.2 . . . . 0.0 109.996 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 47.2 m -61.65 -46.41 89.89 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.178 -0.951 . . . . 0.0 110.077 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.479 HG23 ' N ' ' A' ' 145' ' ' ASN . 14.1 t -64.79 -39.87 94.31 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.982 -1.073 . . . . 0.0 108.321 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ASN . . . . . 0.479 ' N ' HG23 ' A' ' 144' ' ' THR . 39.2 t-20 -54.41 -41.15 68.97 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.363 -0.836 . . . . 0.0 108.765 179.243 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.9 m -62.68 -45.31 93.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.363 -0.836 . . . . 0.0 109.175 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 60.1 mt -65.77 -44.65 85.17 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 108.804 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -61.72 -34.6 76.09 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -61.31 -41.93 97.81 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.503 -0.748 . . . . 0.0 108.983 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.432 ' NH2' ' CE2' ' A' ' 128' ' ' PHE . 60.0 ttp180 -60.06 -42.08 93.75 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.201 -0.937 . . . . 0.0 108.532 179.417 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.546 HD11 ' CD1' ' A' ' 128' ' ' PHE . 87.8 mt -61.02 -38.62 79.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -57.71 -41.36 81.57 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.536 ' HA ' HD12 ' A' ' 156' ' ' ILE . 76.3 t80 -57.98 -42.78 85.81 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' CYS . . . . . 0.543 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 5.2 m -62.86 -50.62 70.21 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -62.44 -34.41 76.73 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.405 -0.809 . . . . 0.0 109.411 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 153' ' ' TYR . 18.9 mt -58.26 -49.24 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 O-C-N 121.222 -0.924 . . . . 0.0 110.227 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.737 ' OH ' HG23 ' A' ' 166' ' ' ILE . 61.8 t80 -64.43 -41.18 96.74 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.548 HD13 HD23 ' A' ' 121' ' ' LEU . 34.7 tp -59.55 -41.47 90.2 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 121.409 0.623 . . . . 0.0 109.345 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.2 m -60.88 -39.68 90.14 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.147 -0.971 . . . . 0.0 108.834 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -61.54 -38.09 86.16 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.304 -0.873 . . . . 0.0 108.907 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 73.9 mt -62.15 -37.84 86.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.228 -0.92 . . . . 0.0 108.707 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.53 -36.93 85.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.39 -0.819 . . . . 0.0 109.106 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -81.81 -10.66 59.27 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.346 -0.846 . . . . 0.0 109.371 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.51 1.03 72.01 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.67 147.6 23.13 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.165 -1.197 . . . . 0.0 109.706 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.737 HG23 ' OH ' ' A' ' 157' ' ' TYR . 37.4 mm . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.526 -0.734 . . . . 0.0 109.503 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.21 -40.51 90.4 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.374 -0.829 . . . . 0.0 108.851 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -61.84 -40.13 94.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 0.0 109.202 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 195' ' ' LEU . . . . . 0.661 HD11 HD22 ' A' ' 53' ' ' LEU . 37.0 tp -59.49 -40.64 87.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.252 -0.905 . . . . 0.0 109.067 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.08 -37.65 85.87 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.259 -0.901 . . . . 0.0 108.873 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.19 -35.28 80.58 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.363 -0.836 . . . . 0.0 109.205 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 198' ' ' ARG . . . . . 0.52 ' CZ ' HD21 ' A' ' 53' ' ' LEU . 81.6 mtp180 -62.39 -42.5 99.47 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.228 -0.92 . . . . 0.0 109.238 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 199' ' ' LEU . . . . . 0.794 HD22 HG21 ' A' ' 32' ' ' VAL . 7.6 tp -63.06 -44.95 94.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.191 -0.943 . . . . 0.0 108.99 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -60.58 -37.61 81.9 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.346 -0.846 . . . . 0.0 108.993 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.91 81.87 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.209 -0.932 . . . . 0.0 108.583 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 202' ' ' LEU . . . . . 0.555 HD22 HG21 ' A' ' 56' ' ' ILE . 5.8 tp -59.7 -39.53 84.88 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -97.31 1.25 49.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.399 -0.813 . . . . 0.0 109.542 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 117.961 -1.466 . . . . 0.0 109.596 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.351 0.596 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.25 -41.07 87.89 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.153 -0.967 . . . . 0.0 109.233 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -63.61 -37.74 88.48 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.191 -0.943 . . . . 0.0 108.981 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -56.45 -42.6 78.41 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.884 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.7 -39.5 94.47 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.36 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.61 93.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.341 -0.849 . . . . 0.0 109.534 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.429 HH12 ' HB3' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -60.3 -40.6 91.09 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.059 -1.026 . . . . 0.0 108.571 179.458 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.407 ' CG1' HD13 ' A' ' 27' ' ' LEU . 53.9 t -63.11 -37.18 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.48 -0.763 . . . . 0.0 109.433 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.61 -40.1 83.55 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.152 -0.968 . . . . 0.0 108.487 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.82 82.19 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.248 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.18 -34.36 78.2 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.673 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -60.79 -41.85 96.43 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.304 -0.872 . . . . 0.0 108.68 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -61.14 -38.75 87.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.339 -0.85 . . . . 0.0 108.775 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -58.55 -42.82 88.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.2 -0.938 . . . . 0.0 109.315 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -62.2 -40.84 97.4 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.317 -0.865 . . . . 0.0 109.422 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.489 ' OD1' ' OE2' ' A' ' 62' ' ' GLU . 53.0 t0 -58.68 -37.94 77.13 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.214 -0.929 . . . . 0.0 108.934 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -61.38 -32.47 72.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.44 -0.788 . . . . 0.0 109.078 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.6 t -83.83 -12.87 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.417 -0.802 . . . . 0.0 109.561 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.3 18.48 52.92 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.5 mt -95.83 54.66 1.53 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.344 -1.092 . . . . 0.0 109.2 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.19 -28.79 50.74 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 mm -58.36 -50.55 78.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 O-C-N 121.119 -1.224 . . . . 0.0 109.509 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.1 mm -63.85 -42.47 95.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.239 -0.913 . . . . 0.0 108.771 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.403 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.05 -40.38 95.49 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.793 ' CE2' HD11 ' A' ' 29' ' ' LEU . 71.0 t80 -62.75 -47.97 81.2 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.089 -1.242 . . . . 0.0 111.154 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.663 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 46.8 t80 -64.45 -47.03 80.59 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.965 -1.084 . . . . 0.0 111.497 -178.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.673 HD11 ' HB2' ' A' ' 12' ' ' ALA . 3.2 pp -67.32 -34.73 77.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.704 -1.248 . . . . 0.0 110.075 -178.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.545 HE22 HG22 ' A' ' 55' ' ' THR . 89.4 mt-30 -60.11 -39.63 86.87 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.566 -1.334 . . . . 0.0 108.079 178.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.793 HD11 ' CE2' ' A' ' 25' ' ' TYR . 92.2 mt -62.76 -37.2 85.68 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.166 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -67.21 -37.36 83.49 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.269 -0.894 . . . . 0.0 109.399 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.5 93.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.309 -0.869 . . . . 0.0 110.369 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.74 HG21 ' CD2' ' B' ' 199' ' ' LEU . 2.2 p -64.08 -42.82 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.88 -1.138 . . . . 0.0 108.832 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.65 -34.64 76.05 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.998 -1.064 . . . . 0.0 108.743 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.884 HD23 ' HB2' ' A' ' 5' ' ' ALA . 37.6 tp -63.22 -43.15 98.91 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.49 -0.756 . . . . 0.0 109.806 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.81 -48.1 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 O-C-N 121.087 -1.008 . . . . 0.0 109.709 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.486 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.4 mp -65.05 -36.44 84.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.292 -0.88 . . . . 0.0 109.417 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.4 p -72.77 -20.89 61.09 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.595 ' CD ' ' HE ' ' A' ' 41' ' ' ARG . 80.0 tt0 -78.34 151.33 32.96 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.58 151.0 11.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.288 -0.882 . . . . 0.0 109.507 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.11 130.39 46.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.444 -0.785 . . . . 0.0 110.088 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.595 ' HE ' ' CD ' ' A' ' 38' ' ' GLU . 96.4 mtt-85 -122.3 170.94 9.42 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.766 -0.584 . . . . 0.0 109.681 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.8 p -57.52 169.04 0.71 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.338 -0.851 . . . . 0.0 110.555 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -56.65 -24.73 50.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.858 -0.526 . . . . 0.0 111.317 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.57 -44.73 47.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.718 -1.239 . . . . 0.0 109.678 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -36.08 79.02 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.947 -1.095 . . . . 0.0 109.132 178.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.5 m -59.61 -41.91 91.45 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.311 -0.868 . . . . 0.0 109.252 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.27 95.12 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.163 -0.961 . . . . 0.0 108.812 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.98 -38.07 89.66 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.336 -0.853 . . . . 0.0 109.108 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.9 87.15 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.257 -0.902 . . . . 0.0 108.692 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 m -62.92 -38.17 89.92 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.371 -0.83 . . . . 0.0 109.188 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.98 -43.98 98.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.385 -0.822 . . . . 0.0 109.987 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 52' ' ' LEU . 7.0 mp -63.66 -39.64 94.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.991 -1.068 . . . . 0.0 109.353 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.3 tp -59.8 -40.37 88.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.17 -0.956 . . . . 0.0 108.773 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -61.66 -38.18 86.81 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.545 HG22 HE22 ' A' ' 28' ' ' GLN . 43.3 m -60.05 -41.97 93.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.661 -0.649 . . . . 0.0 109.746 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.45 HG21 HD21 ' B' ' 202' ' ' LEU . 83.0 mt -58.15 -49.77 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.117 -0.989 . . . . 0.0 109.18 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -62.23 -37.55 85.82 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.7 -34.73 77.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.481 -0.762 . . . . 0.0 109.044 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -58.97 -53.91 53.08 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.231 -0.918 . . . . 0.0 109.361 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.868 ' NZ ' HG21 ' A' ' 83' ' ' ILE . 26.9 mttm -59.81 -41.17 90.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.147 -0.971 . . . . 0.0 109.345 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -82.8 -2.4 54.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.403 -0.811 . . . . 0.0 110.067 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.489 ' OE2' ' OD1' ' A' ' 16' ' ' ASP . 86.6 tt0 -49.41 -35.25 18.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.122 -0.986 . . . . 0.0 109.919 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.481 HD12 ' SD ' ' A' ' 79' ' ' MET . 79.6 mt -68.55 -40.33 81.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.111 -0.993 . . . . 0.0 109.769 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.42 -5.22 60.91 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.14 -3.02 79.91 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -64.86 -47.11 79.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.055 -1.262 . . . . 0.0 108.531 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 t -70.74 -31.11 67.83 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.15 -29.5 65.63 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.663 -0.648 . . . . 0.0 109.802 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.24 -35.69 67.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.957 -1.089 . . . . 0.0 109.822 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -111.19 137.2 49.18 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.331 -0.856 . . . . 0.0 109.466 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 50.8 45.3 27.44 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.181 -0.95 . . . . 0.0 108.768 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.8 p -56.63 -35.16 68.02 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.482 -0.762 . . . . 0.0 110.324 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 74' ' ' LYS . 30.4 p-10 -64.89 -43.94 91.28 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.03 -1.044 . . . . 0.0 110.493 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.567 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 98.5 mttt -64.46 -38.37 90.79 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.21 -0.932 . . . . 0.0 109.962 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.3 m -63.08 -44.92 94.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 0.0 110.063 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.29 -39.29 82.13 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.279 -0.888 . . . . 0.0 110.015 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -59.25 -45.17 91.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.152 -0.968 . . . . 0.0 110.353 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.4 t -67.85 -49.46 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.059 -1.026 . . . . 0.0 110.302 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.481 ' SD ' HD12 ' A' ' 63' ' ' ILE . 70.2 mtm -67.94 -46.27 71.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.121 -0.987 . . . . 0.0 110.785 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -69.29 -43.08 74.57 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.925 -1.11 . . . . 0.0 111.472 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.1 m -69.01 -49.32 58.78 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.12 -0.988 . . . . 0.0 111.941 -178.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.9 mt -73.21 -33.63 65.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.966 -1.084 . . . . 0.0 111.549 -177.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.868 HG21 ' NZ ' ' A' ' 60' ' ' LYS . 76.3 mt -79.4 -40.31 21.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 120.884 -1.135 . . . . 0.0 111.698 -178.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -83.76 -36.67 23.44 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.88 -1.138 . . . . 0.0 111.951 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -86.17 114.61 23.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.64 -1.287 . . . . 0.0 110.157 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.496 ' CG ' ' N ' ' A' ' 87' ' ' GLU . 1.6 pt20 -62.23 -41.12 98.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.586 -0.697 . . . . 0.0 110.566 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.496 ' N ' ' CG ' ' A' ' 86' ' ' GLN . 97.0 mt-10 -63.3 -40.09 96.38 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.241 -0.912 . . . . 0.0 110.416 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -60.6 -32.4 71.53 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.935 -1.103 . . . . 0.0 108.663 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.44 -41.66 72.57 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.262 -0.898 . . . . 0.0 109.212 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.439 ' HG3' HG21 ' A' ' 131' ' ' ILE . 28.1 tttt -65.19 -48.59 72.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.213 -0.929 . . . . 0.0 110.752 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.76 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -63.53 -41.8 93.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 120.824 -1.173 . . . . 0.0 108.938 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.76 ' N ' HD12 ' A' ' 91' ' ' ILE . 55.4 t80 -64.17 -48.85 74.35 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.663 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 83.4 mtp -68.09 -40.36 82.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.377 -0.827 . . . . 0.0 109.757 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.5 tp -60.39 -39.15 86.28 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -61.15 -44.75 96.83 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.407 -0.808 . . . . 0.0 108.884 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -65.19 -43.37 91.84 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.474 -0.766 . . . . 0.0 109.482 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 93' ' ' MET . 63.7 p -59.81 -42.54 93.69 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.235 -0.916 . . . . 0.0 109.533 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.2 ttp -60.38 -45.55 93.13 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.327 -0.858 . . . . 0.0 108.852 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 m -67.02 -41.55 86.43 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.388 -0.82 . . . . 0.0 109.174 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.5 tp -64.41 -39.01 93.03 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.4 -0.813 . . . . 0.0 109.542 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.431 ' CE2' HD11 ' A' ' 105' ' ' LEU . 87.7 t80 -61.6 -48.26 81.74 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.304 -0.873 . . . . 0.0 110.05 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -63.87 -47.18 81.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.074 -1.016 . . . . 0.0 109.483 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.15 -34.84 79.35 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.427 -0.796 . . . . 0.0 109.577 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -60.81 -46.0 92.24 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.192 -0.942 . . . . 0.0 109.529 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.431 HD11 ' CE2' ' A' ' 101' ' ' TYR . 85.2 mt -60.88 -46.51 90.31 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.253 -0.904 . . . . 0.0 109.17 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -60.78 -37.35 81.59 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 121.098 -1.001 . . . . 0.0 109.076 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' A' ' 111' ' ' GLY . 63.2 tt0 -60.59 -39.57 88.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.331 -0.856 . . . . 0.0 109.363 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.919 HD13 ' CE2' ' A' ' 157' ' ' TYR . 95.3 mt -63.05 -43.0 99.84 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.165 -0.96 . . . . 0.0 109.494 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -78.61 -52.36 8.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.272 -0.892 . . . . 0.0 110.094 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -77.44 -23.51 50.5 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.418 -0.801 . . . . 0.0 110.314 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -105.86 154.12 17.03 Favored Glycine 0 N--CA 1.494 2.557 0 C-N-CA 119.729 -1.224 . . . . 0.0 110.268 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -71.54 154.22 60.18 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.901 2.401 . . . . 0.0 112.053 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.416 ' HE1' ' HB3' ' A' ' 108' ' ' LEU . 15.3 m-90 -94.17 120.44 34.42 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.154 -0.966 . . . . 0.0 109.627 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.3 m-20 -134.91 163.42 29.87 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.345 -0.847 . . . . 0.0 108.882 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -59.83 -36.74 68.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 O-C-N 120.972 -1.08 . . . . 0.0 108.661 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.457 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 1.8 mpp? -60.59 -40.57 92.26 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.532 -0.73 . . . . 0.0 109.34 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.7 HD21 HD21 ' A' ' 108' ' ' LEU . 8.6 tt -62.56 -39.69 94.46 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.406 -0.809 . . . . 0.0 109.382 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -60.15 -41.26 92.41 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.249 -0.907 . . . . 0.0 109.057 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.429 ' HB3' HH12 ' A' ' 7' ' ' ARG . 97.4 mtt180 -61.78 -40.22 94.42 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.417 -0.802 . . . . 0.0 109.177 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.5 p -64.63 -35.1 79.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.346 -0.846 . . . . 0.0 109.493 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.661 HD22 HD22 ' A' ' 158' ' ' LEU . 7.7 tt -64.44 -41.0 96.8 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.161 -0.962 . . . . 0.0 109.005 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -61.97 -39.38 91.94 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.294 -0.879 . . . . 0.0 109.16 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.65 -42.62 99.16 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.284 -0.885 . . . . 0.0 109.531 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 24.6 m -60.0 -44.9 94.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.185 -0.947 . . . . 0.0 109.384 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.51 -37.88 76.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.562 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.1 m-20 -61.82 -40.2 94.45 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.387 -0.821 . . . . 0.0 109.538 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.568 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 83.9 mt -58.88 -51.47 69.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.153 -0.967 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -72.67 -43.4 63.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.325 -0.86 . . . . 0.0 109.576 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.0 m -64.33 -38.79 92.28 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.37 -0.831 . . . . 0.0 110.489 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 127' ' ' LEU . 29.5 p -68.22 -50.37 54.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.984 -1.072 . . . . 0.0 109.904 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.531 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 83.5 mt -62.4 -46.15 97.09 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 O-C-N 121.022 -1.049 . . . . 0.0 109.204 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 136' ' ' LYS . 20.5 tp -61.08 -36.82 80.66 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.559 -0.713 . . . . 0.0 109.137 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -59.2 -46.56 88.1 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.368 -0.832 . . . . 0.0 110.257 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.78 -47.12 82.2 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.008 -1.058 . . . . 0.0 110.018 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -88.56 4.2 47.7 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.374 -0.829 . . . . 0.0 110.722 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 132' ' ' LEU . 2.4 tttm -53.42 -40.77 65.39 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.037 -1.04 . . . . 0.0 109.348 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.51 -17.46 64.17 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.33 -0.856 . . . . 0.0 109.179 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -88.95 -8.17 54.65 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.425 -0.797 . . . . 0.0 110.21 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.7 mt -108.61 147.04 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.242 -0.911 . . . . 0.0 109.595 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 56.3 p -77.15 154.92 32.7 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.33 -0.856 . . . . 0.0 109.333 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.85 -42.41 84.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.304 -0.873 . . . . 0.0 110.076 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.6 m -64.38 -46.44 83.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.893 -1.129 . . . . 0.0 109.47 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 24.9 m -64.87 -45.79 84.57 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.158 -0.964 . . . . 0.0 108.635 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.61 -39.94 95.65 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -49.9 -44.99 50.4 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.274 -0.891 . . . . 0.0 108.674 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.2 m -61.49 -42.05 98.2 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.679 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.5 -39.07 88.49 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.302 -0.873 . . . . 0.0 109.584 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.485 ' HA ' ' NE2' ' A' ' 148' ' ' GLN . 9.2 mm100 -60.27 -37.55 80.79 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 118.812 -1.155 . . . . 0.0 108.096 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -61.86 -41.41 97.81 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.436 -0.79 . . . . 0.0 109.471 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -58.42 -42.44 87.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.086 -1.009 . . . . 0.0 108.675 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 31.3 mm -64.59 -41.36 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 12.8 tttm -57.61 -39.87 77.85 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.51 ' HA ' HD12 ' A' ' 156' ' ' ILE . 68.0 t80 -59.18 -44.17 92.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.345 -0.847 . . . . 0.0 108.778 179.186 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 3.8 m -61.9 -50.7 71.14 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.303 -0.873 . . . . 0.0 108.725 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -63.06 -33.36 75.27 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.466 -0.771 . . . . 0.0 109.573 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 153' ' ' TYR . 11.7 mt -58.12 -49.17 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.146 -0.972 . . . . 0.0 110.163 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.919 ' CE2' HD13 ' A' ' 108' ' ' LEU . 71.1 t80 -64.05 -43.84 94.28 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 119.058 -1.057 . . . . 0.0 108.353 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.661 HD22 HD22 ' A' ' 121' ' ' LEU . 35.9 tp -59.57 -39.79 85.23 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.2 m -60.45 -42.82 96.94 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.172 -0.955 . . . . 0.0 109.433 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -62.4 -37.36 85.49 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.113 -0.992 . . . . 0.0 109.208 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 64.9 mt -59.42 -39.07 82.3 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.998 -1.064 . . . . 0.0 108.4 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.48 80.98 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -81.33 -12.81 58.92 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.306 -0.871 . . . . 0.0 109.165 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.7 0.11 69.67 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -94.89 145.96 24.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.156 -1.202 . . . . 0.0 109.797 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 38.0 mm . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.409 -0.807 . . . . 0.0 109.441 179.668 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.62 -40.49 95.05 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.286 -0.884 . . . . 0.0 109.136 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -61.24 -42.21 98.22 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.373 -0.829 . . . . 0.0 109.375 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.16 -41.75 89.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.178 -0.951 . . . . 0.0 109.097 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.96 -40.39 94.93 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.28 -0.887 . . . . 0.0 109.484 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.07 -35.78 82.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.196 -0.94 . . . . 0.0 109.431 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -62.11 -44.2 97.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.26 -0.9 . . . . 0.0 109.237 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 199' ' ' LEU . . . . . 0.74 ' CD2' HG21 ' A' ' 32' ' ' VAL . 61.3 tp -63.92 -42.69 97.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.234 -0.916 . . . . 0.0 109.772 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 200' ' ' ARG . . . . . 0.464 ' O ' ' OXT' ' B' ' 204' ' ' GLY . 57.8 mtp180 -59.03 -36.37 74.88 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.099 -1.001 . . . . 0.0 108.782 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.53 -36.37 83.61 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 202' ' ' LEU . . . . . 0.45 HD21 HG21 ' A' ' 56' ' ' ILE . 15.3 tp -59.24 -39.29 82.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.409 -0.807 . . . . 0.0 108.827 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 203' ' ' ARG . . . . . 0.461 ' HD3' HD22 ' A' ' 29' ' ' LEU . 80.0 mtm180 -92.96 -2.63 55.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.342 -0.849 . . . . 0.0 109.388 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 204' ' ' GLY . . . . . 0.464 ' OXT' ' O ' ' B' ' 200' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.236 0 CA-C-O 118.004 -1.442 . . . . 0.0 109.534 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.933 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -59.93 -39.34 85.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 0.0 109.322 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -63.88 -38.79 92.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.221 -0.925 . . . . 0.0 109.312 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -59.16 -39.89 83.9 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.892 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -65.11 -39.39 93.05 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.29 -47.22 84.35 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.419 -0.8 . . . . 0.0 109.677 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -60.91 -40.6 93.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.1 -1.0 . . . . 0.0 109.281 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.521 ' CG1' HD13 ' A' ' 27' ' ' LEU . 53.5 t -62.42 -39.55 84.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.33 -0.856 . . . . 0.0 109.47 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.98 -41.8 90.49 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.216 -0.928 . . . . 0.0 108.653 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -45.54 78.47 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.306 -0.871 . . . . 0.0 109.102 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.07 -33.33 75.26 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.76 97.16 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.24 -0.912 . . . . 0.0 108.946 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -61.51 -40.79 95.88 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.236 -0.915 . . . . 0.0 108.558 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -59.14 -39.17 81.55 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.441 -0.787 . . . . 0.0 109.054 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -62.64 -42.54 99.66 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.523 -0.736 . . . . 0.0 109.539 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -58.78 -39.41 80.95 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.927 . . . . 0.0 109.0 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -61.42 -32.92 72.88 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.404 -0.81 . . . . 0.0 109.357 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.2 t -84.12 -14.41 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -0.883 . . . . 0.0 109.722 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.12 23.61 34.35 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.2 mt -95.29 54.11 1.59 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.282 -1.128 . . . . 0.0 109.02 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.1 -27.55 67.48 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.407 ' N ' HD13 ' A' ' 22' ' ' ILE . 9.0 mm -58.2 -55.13 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 120.91 -1.347 . . . . 0.0 109.765 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mp -68.07 -33.81 63.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.007 -1.058 . . . . 0.0 108.565 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.2 -46.18 94.21 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.738 ' CE2' HD11 ' A' ' 29' ' ' LEU . 66.9 t80 -60.98 -48.25 82.69 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.101 -1.235 . . . . 0.0 109.835 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.521 ' CB ' ' SD ' ' A' ' 93' ' ' MET . 87.5 t80 -67.61 -45.62 74.9 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.226 -0.921 . . . . 0.0 110.943 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.73 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -67.39 -36.57 81.59 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.902 -1.124 . . . . 0.0 110.133 -179.019 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.67 ' NE2' HG22 ' A' ' 55' ' ' THR . 84.8 mt-30 -62.8 -40.26 96.8 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.823 -1.173 . . . . 0.0 108.931 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.738 HD11 ' CE2' ' A' ' 25' ' ' TYR . 85.4 mt -61.04 -38.2 85.3 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.663 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 78.7 t80 -65.83 -36.02 82.3 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.158 -0.964 . . . . 0.0 109.166 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.51 -45.93 92.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.305 -0.872 . . . . 0.0 110.234 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.404 ' H ' HG12 ' A' ' 32' ' ' VAL . 2.0 p -65.6 -41.95 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.769 -1.207 . . . . 0.0 108.93 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.515 ' OE2' ' NH1' ' B' ' 203' ' ' ARG . 97.5 mt-10 -61.65 -35.61 78.43 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.87 -1.144 . . . . 0.0 108.917 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.892 HD23 ' HB2' ' A' ' 5' ' ' ALA . 39.7 tp -63.41 -42.06 98.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.377 -0.827 . . . . 0.0 109.607 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.9 mt -63.89 -48.2 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 O-C-N 121.167 -0.958 . . . . 0.0 109.804 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.3 mp -64.17 -35.57 81.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.321 -0.862 . . . . 0.0 109.3 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.0 m -80.79 -0.35 38.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.305 -0.872 . . . . 0.0 108.72 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.933 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 84.5 tt0 -94.48 150.66 20.04 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.627 -0.671 . . . . 0.0 109.378 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.36 150.09 15.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.162 -0.961 . . . . 0.0 109.036 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -58.38 129.04 40.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.25 -0.906 . . . . 0.0 110.018 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -122.93 171.55 9.14 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.3 p -57.15 171.62 0.36 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.32 -0.862 . . . . 0.0 110.378 -178.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -55.5 -24.0 29.24 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.767 -0.583 . . . . 0.0 111.079 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.22 -41.62 37.84 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.684 -1.26 . . . . 0.0 109.509 -178.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -35.62 79.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.88 -1.138 . . . . 0.0 109.262 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.0 m -59.31 -42.84 92.31 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.273 -0.892 . . . . 0.0 109.39 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.71 93.68 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.224 -0.922 . . . . 0.0 109.038 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.28 -39.51 90.69 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.412 -0.805 . . . . 0.0 109.356 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.95 98.11 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.318 -0.864 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 m -60.61 -40.19 90.95 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.236 -0.915 . . . . 0.0 109.134 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.56 -39.22 92.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.335 -0.853 . . . . 0.0 109.649 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.09 -41.91 98.67 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.18 -0.95 . . . . 0.0 109.699 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.503 HD21 ' NH1' ' B' ' 198' ' ' ARG . 41.5 tp -62.45 -41.73 98.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.12 -0.987 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -62.77 -40.68 98.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.458 -0.776 . . . . 0.0 109.419 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.67 HG22 ' NE2' ' A' ' 28' ' ' GLN . 25.6 m -60.45 -42.41 96.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.529 -0.732 . . . . 0.0 109.934 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.706 HG21 HD21 ' B' ' 202' ' ' LEU . 86.8 mt -59.34 -47.3 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.113 -0.992 . . . . 0.0 109.04 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.572 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.9 mt-10 -61.89 -36.17 80.5 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -63.92 -36.1 82.84 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -60.58 -54.5 44.61 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.134 -0.979 . . . . 0.0 109.005 179.602 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -60.48 -39.16 86.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.114 -0.991 . . . . 0.0 108.82 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -82.37 -2.22 52.29 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.446 -0.783 . . . . 0.0 109.831 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 58' ' ' ALA . 84.5 tt0 -49.16 -31.62 8.65 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.164 -0.96 . . . . 0.0 110.014 -179.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.485 HG23 ' HB3' ' A' ' 67' ' ' SER . 29.7 mm -67.13 -40.24 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.015 -1.053 . . . . 0.0 109.165 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.62 -5.81 10.34 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 89.79 -7.99 80.69 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -67.22 -47.2 71.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.047 -1.266 . . . . 0.0 108.856 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.485 ' HB3' HG23 ' A' ' 63' ' ' ILE . 10.9 t -73.48 -30.84 63.42 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -58.68 -30.84 67.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.566 -0.709 . . . . 0.0 109.98 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.27 -36.8 66.5 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.036 -1.04 . . . . 0.0 109.788 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -106.05 134.35 49.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.26 -0.9 . . . . 0.0 109.208 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 50.08 46.36 24.65 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.06 -1.025 . . . . 0.0 108.362 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.4 t -50.56 -39.52 49.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.532 -0.73 . . . . 0.0 110.226 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.587 ' OD1' ' N ' ' A' ' 74' ' ' LYS . 32.9 p-10 -63.18 -40.9 98.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.111 -0.993 . . . . 0.0 110.128 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.587 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 56.4 tttt -62.75 -39.35 93.87 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.224 -0.922 . . . . 0.0 109.775 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.6 p -64.48 -42.65 95.76 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.281 -0.887 . . . . 0.0 109.891 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.1 mt -68.41 -39.6 81.55 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.322 -0.861 . . . . 0.0 109.825 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' A' ' 81' ' ' THR . 36.3 m80 -60.91 -45.1 96.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.313 -0.867 . . . . 0.0 110.455 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.62 -49.99 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.053 -1.029 . . . . 0.0 110.133 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.453 ' O ' HD12 ' A' ' 83' ' ' ILE . 70.6 mtm -68.56 -46.55 69.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.186 -0.947 . . . . 0.0 110.819 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.437 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 80.5 m-20 -69.82 -42.95 72.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.081 -1.012 . . . . 0.0 111.482 -178.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 39.4 m -65.73 -49.63 67.73 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.109 -0.994 . . . . 0.0 111.884 -177.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.424 HD23 ' HG3' ' A' ' 88' ' ' LYS . 15.2 mt -72.49 -33.93 67.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.844 -1.16 . . . . 0.0 111.084 -178.409 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 79' ' ' MET . 86.1 mt -79.31 -34.49 16.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.065 -1.022 . . . . 0.0 111.456 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 73.3 m80 -92.87 -37.97 11.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.872 -1.143 . . . . 0.0 111.757 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -84.25 107.6 16.65 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.721 -1.237 . . . . 0.0 110.372 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.25 -36.93 83.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.455 -0.778 . . . . 0.0 110.223 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.19 -45.2 95.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.056 -1.027 . . . . 0.0 108.843 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.424 ' HG3' HD23 ' A' ' 82' ' ' LEU . 5.8 tptm -68.57 -34.35 75.67 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.27 -47.68 55.5 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.449 -0.782 . . . . 0.0 110.315 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -61.53 -48.34 81.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.081 -1.012 . . . . 0.0 110.576 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.666 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.4 pp -61.76 -41.21 89.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 120.995 -1.066 . . . . 0.0 108.926 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.666 ' N ' HD12 ' A' ' 91' ' ' ILE . 46.2 t80 -63.67 -48.53 76.8 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.521 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 75.8 mtm -65.73 -41.9 91.66 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.359 -0.838 . . . . 0.0 109.307 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.88 -39.75 93.02 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.273 -0.892 . . . . 0.0 109.187 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -59.83 -44.98 93.78 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.388 -0.82 . . . . 0.0 109.546 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.547 ' HE2' HD22 ' A' ' 100' ' ' LEU . 64.1 t80 -63.69 -44.42 93.73 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.269 -0.895 . . . . 0.0 109.709 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.41 ' HB ' ' CE1' ' A' ' 128' ' ' PHE . 18.1 p -61.96 -42.83 99.56 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.262 -0.899 . . . . 0.0 109.964 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 91.1 mtp -64.78 -43.43 93.24 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.076 -1.015 . . . . 0.0 109.273 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.5 m -70.11 -42.12 73.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.421 -0.8 . . . . 0.0 109.436 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.547 HD22 ' HE2' ' A' ' 96' ' ' PHE . 30.9 tp -63.64 -42.92 98.1 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.356 -0.84 . . . . 0.0 109.704 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.672 ' CE2' HD11 ' A' ' 105' ' ' LEU . 82.8 t80 -61.01 -42.83 99.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.323 -0.861 . . . . 0.0 109.758 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -58.83 -41.39 86.77 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.278 -0.889 . . . . 0.0 109.522 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.31 -39.3 92.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.284 -0.885 . . . . 0.0 109.669 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.552 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 39.6 mmtt -62.6 -40.44 96.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.235 -0.916 . . . . 0.0 109.489 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.672 HD11 ' CE2' ' A' ' 101' ' ' TYR . 82.2 mt -60.17 -44.62 94.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.259 -0.901 . . . . 0.0 109.507 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -60.71 -39.46 88.63 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.197 -0.939 . . . . 0.0 109.845 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 111' ' ' GLY . 94.7 mt-30 -62.89 -40.89 98.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.204 -0.935 . . . . 0.0 110.027 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.84 -37.42 87.56 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.84 -1.163 . . . . 0.0 109.728 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -78.12 -53.31 7.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.252 -0.905 . . . . 0.0 110.742 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -98.5 -22.91 15.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.232 -0.917 . . . . 0.0 110.897 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -88.6 153.32 23.95 Favored Glycine 0 N--CA 1.492 2.432 0 C-N-CA 119.494 -1.336 . . . . 0.0 110.017 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.93 153.39 72.7 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 122.806 2.337 . . . . 0.0 111.902 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.736 ' CZ2' HG21 ' A' ' 166' ' ' ILE . 15.3 m-90 -92.46 115.06 27.76 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.122 -0.986 . . . . 0.0 109.76 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 43.8 t0 -135.57 167.31 21.34 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.341 -0.849 . . . . 0.0 109.211 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.46 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 3.9 m -62.27 -32.56 55.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.367 -0.833 . . . . 0.0 109.623 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 115' ' ' VAL . 69.2 mtm -60.13 -39.9 87.88 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.288 -0.882 . . . . 0.0 109.923 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.6 mm? -65.29 -38.79 91.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.217 -0.927 . . . . 0.0 109.403 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.479 ' HE3' HD13 ' A' ' 161' ' ' LEU . 34.2 mttp -60.93 -42.79 98.86 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.292 -0.88 . . . . 0.0 109.539 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -62.12 -42.36 99.16 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.331 -0.856 . . . . 0.0 109.879 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.552 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 8.2 t -64.52 -43.4 94.16 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.26 -0.9 . . . . 0.0 109.807 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 1.036 HD23 HD21 ' A' ' 158' ' ' LEU . 41.1 tp -62.3 -43.08 99.66 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.297 -0.877 . . . . 0.0 109.495 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.677 ' CE2' HD13 ' A' ' 158' ' ' LEU . 41.4 m95 -61.93 -39.74 93.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.144 -0.972 . . . . 0.0 108.962 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.6 m -64.38 -41.16 96.84 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.218 -0.926 . . . . 0.0 108.735 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 70.8 m -59.31 -44.26 92.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.346 -0.846 . . . . 0.0 109.269 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.0 -38.53 77.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.19 -0.944 . . . . 0.0 108.926 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.531 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.5 m-20 -60.23 -39.06 85.37 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.347 -0.846 . . . . 0.0 109.041 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.24 -42.98 99.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.398 -0.813 . . . . 0.0 109.259 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.41 ' CE1' ' HB ' ' A' ' 97' ' ' THR . 26.4 m-85 -66.55 -43.4 85.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.36 -0.837 . . . . 0.0 109.81 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.0 m -64.7 -38.01 89.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.335 -0.853 . . . . 0.0 110.246 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.663 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 60.0 m -67.32 -49.54 63.72 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.214 -0.929 . . . . 0.0 110.249 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.1 pp -77.29 -43.27 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.091 -1.005 . . . . 0.0 110.285 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.581 HD21 ' OE1' ' A' ' 148' ' ' GLN . 44.5 tp -62.22 -40.99 97.97 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.901 -1.124 . . . . 0.0 109.808 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -68.48 -49.49 59.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -0.891 . . . . 0.0 111.048 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.521 HD23 ' CZ3' ' A' ' 135' ' ' TRP . 56.9 tp -61.91 -47.1 86.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.909 -1.119 . . . . 0.0 110.652 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.521 ' CZ3' HD23 ' A' ' 134' ' ' LEU . 11.9 m-90 -88.01 4.66 44.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.042 -1.036 . . . . 0.0 110.462 -179.454 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -49.18 -37.41 22.47 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.221 -0.924 . . . . 0.0 109.514 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -62.78 -26.24 68.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.222 -0.924 . . . . 0.0 109.243 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -89.3 -0.74 57.7 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.273 -0.892 . . . . 0.0 109.853 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.496 HG22 ' OG ' ' A' ' 143' ' ' SER . 16.1 mm -102.67 143.17 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.016 -1.053 . . . . 0.0 109.229 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' SER . . . . . 0.415 ' N ' ' OG ' ' A' ' 143' ' ' SER . 28.9 t -77.97 154.03 31.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.874 . . . . 0.0 109.186 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.16 -41.99 72.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.198 -0.939 . . . . 0.0 109.762 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 39.5 m -72.87 -44.18 61.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.879 -1.138 . . . . 0.0 109.454 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' SER . . . . . 0.496 ' OG ' HG22 ' A' ' 139' ' ' ILE . 87.8 p -63.46 -41.53 98.62 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.24 -0.913 . . . . 0.0 109.373 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.527 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.5 OUTLIER -62.03 -39.05 90.99 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.07 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ASN . . . . . 0.459 ' OD1' ' NZ ' ' A' ' 149' ' ' LYS . 33.1 t-20 -58.1 -42.61 86.04 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.549 -0.719 . . . . 0.0 109.366 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.4 m -60.96 -47.4 86.6 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.251 -0.906 . . . . 0.0 110.129 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.478 HD12 ' H ' ' A' ' 147' ' ' LEU . 6.6 mp -63.69 -38.8 92.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.083 -1.011 . . . . 0.0 108.941 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.618 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -62.19 -36.95 83.49 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.332 -0.855 . . . . 0.0 109.282 179.641 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 149' ' ' LYS . . . . . 0.459 ' NZ ' ' OD1' ' A' ' 145' ' ' ASN . 29.3 mttp -62.74 -42.55 99.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.125 -0.984 . . . . 0.0 109.464 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -63.23 -42.05 99.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.182 -0.949 . . . . 0.0 109.381 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.14 -41.51 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.333 -0.854 . . . . 0.0 109.357 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -59.31 -40.68 86.99 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.331 -0.856 . . . . 0.0 108.799 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.42 ' HA ' HD12 ' A' ' 156' ' ' ILE . 73.1 t80 -58.51 -43.68 89.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.406 -0.809 . . . . 0.0 109.146 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 4.2 m -65.4 -50.33 65.89 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.293 -0.879 . . . . 0.0 108.857 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -60.23 -35.97 76.65 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 153' ' ' TYR . 13.8 mt -58.49 -41.9 82.99 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 O-C-N 121.435 -0.791 . . . . 0.0 109.535 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.509 ' CE2' HD11 ' A' ' 161' ' ' LEU . 74.1 t80 -62.6 -40.18 96.11 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.288 -0.883 . . . . 0.0 108.677 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 1.036 HD21 HD23 ' A' ' 121' ' ' LEU . 88.1 mt -58.83 -40.96 85.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.204 -0.935 . . . . 0.0 109.188 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.7 m -62.11 -40.64 96.55 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.2 -0.938 . . . . 0.0 109.205 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -61.82 -38.61 88.8 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.192 -0.942 . . . . 0.0 109.257 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.509 HD11 ' CE2' ' A' ' 157' ' ' TYR . 73.3 mt -62.64 -37.47 86.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.166 -0.959 . . . . 0.0 108.801 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.74 84.65 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.346 -0.846 . . . . 0.0 109.169 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -81.84 -9.78 59.51 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.325 -0.859 . . . . 0.0 109.398 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 89.53 3.3 74.97 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -94.73 141.33 28.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.227 -1.16 . . . . 0.0 109.673 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.736 HG21 ' CZ2' ' A' ' 113' ' ' TRP . 36.1 mm . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.413 -0.805 . . . . 0.0 109.372 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -59.22 -41.44 88.65 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.204 -0.935 . . . . 0.0 108.857 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -62.07 -40.55 96.18 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.278 -0.889 . . . . 0.0 109.166 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 43.7 tp -57.96 -39.64 78.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.337 -0.852 . . . . 0.0 109.435 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.74 98.66 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.926 . . . . 0.0 109.268 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 197' ' ' GLN . . . . . 0.408 ' HG3' HH21 ' B' ' 200' ' ' ARG . 51.2 tt0 -65.14 -35.62 81.69 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.248 -0.908 . . . . 0.0 109.232 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 198' ' ' ARG . . . . . 0.572 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 63.9 ttt-85 -62.4 -42.26 99.29 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.246 -0.909 . . . . 0.0 109.363 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.51 -44.19 96.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.276 -0.89 . . . . 0.0 109.478 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 200' ' ' ARG . . . . . 0.408 HH21 ' HG3' ' B' ' 197' ' ' GLN . 33.5 mtm105 -60.12 -36.94 78.58 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.167 -0.958 . . . . 0.0 108.966 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.02 82.41 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 202' ' ' LEU . . . . . 0.706 HD21 HG21 ' A' ' 56' ' ' ILE . 17.5 tp -59.97 -38.49 82.67 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.393 -0.817 . . . . 0.0 108.855 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 203' ' ' ARG . . . . . 0.732 ' HD3' HD22 ' A' ' 29' ' ' LEU . 56.9 mtm180 -87.52 -9.95 53.06 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.341 -0.849 . . . . 0.0 109.356 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 CA-C-O 118.004 -1.442 . . . . 0.0 109.499 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.508 ' N ' ' NH2' ' A' ' 41' ' ' ARG . 87.8 mtp . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.539 ' N ' ' OE2' ' A' ' 38' ' ' GLU . . . -59.18 -40.79 86.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.23 -0.919 . . . . 0.0 109.08 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -63.43 -38.3 90.62 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.163 -0.96 . . . . 0.0 108.973 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -57.08 -39.84 75.74 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.812 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.04 -40.01 95.36 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.22 96.65 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.437 -0.789 . . . . 0.0 109.26 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.424 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.12 -41.64 93.05 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.248 -0.908 . . . . 0.0 108.641 179.621 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.3 t -60.84 -37.44 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.373 -0.83 . . . . 0.0 109.12 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.63 -37.99 77.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.2 98.07 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.3 p -69.98 -34.85 73.89 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.308 -0.87 . . . . 0.0 108.869 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.461 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -56.31 -45.8 80.13 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -64.61 -41.99 95.84 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.317 -0.864 . . . . 0.0 109.14 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -60.55 -42.61 96.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.317 -0.864 . . . . 0.0 109.907 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -61.66 -41.23 97.25 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.153 -0.967 . . . . 0.0 109.383 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.485 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 20.2 t70 -59.02 -38.11 78.5 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.15 -0.969 . . . . 0.0 108.908 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.9 -32.28 71.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.522 -0.736 . . . . 0.0 109.394 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 18' ' ' VAL . 48.0 t -84.12 -9.06 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.383 -0.823 . . . . 0.0 109.492 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.31 13.59 61.5 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.8 mt -95.88 47.93 1.11 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.421 -1.047 . . . . 0.0 109.114 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.68 -30.46 51.59 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.42 HD13 ' N ' ' A' ' 22' ' ' ILE . 8.3 mm -58.6 -51.06 76.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 O-C-N 121.185 -1.185 . . . . 0.0 109.593 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.1 mm -65.32 -42.27 93.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 121.128 -0.983 . . . . 0.0 108.875 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.553 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.91 -39.21 95.23 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.877 ' CE2' HD11 ' A' ' 29' ' ' LEU . 72.9 t80 -63.76 -47.41 81.1 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.961 -1.317 . . . . 0.0 110.573 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.67 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 72.1 t80 -60.34 -45.8 92.18 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.23 -0.919 . . . . 0.0 111.454 -178.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.553 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.9 pp -66.54 -33.93 76.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.608 -1.308 . . . . 0.0 110.044 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.486 ' N ' HD12 ' A' ' 27' ' ' LEU . 92.5 mt-30 -60.18 -40.31 89.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.65 -1.281 . . . . 0.0 108.208 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.877 HD11 ' CE2' ' A' ' 25' ' ' TYR . 87.5 mt -61.46 -38.81 88.57 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.263 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.663 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 86.4 t80 -66.23 -36.09 82.12 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.456 -0.778 . . . . 0.0 109.238 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.54 94.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.297 -0.877 . . . . 0.0 110.274 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.449 HG21 HD22 ' B' ' 199' ' ' LEU . 2.2 p -66.12 -42.8 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.812 -1.18 . . . . 0.0 109.168 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.67 -35.08 76.96 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.945 -1.097 . . . . 0.0 108.882 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.812 HD23 ' HB2' ' A' ' 5' ' ' ALA . 25.5 tp -64.03 -43.46 95.49 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.342 -0.848 . . . . 0.0 109.819 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.54 -48.2 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 O-C-N 121.153 -0.967 . . . . 0.0 110.05 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.2 mp -65.1 -36.5 84.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.32 -0.863 . . . . 0.0 109.266 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.6 p -77.33 -19.53 56.21 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.314 -0.866 . . . . 0.0 108.873 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.59 ' OE2' ' NE ' ' A' ' 41' ' ' ARG . 84.5 tt0 -67.7 149.39 50.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.702 -0.624 . . . . 0.0 109.934 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.61 150.02 20.21 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.398 -0.814 . . . . 0.0 109.373 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -58.78 131.16 50.11 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.283 -0.886 . . . . 0.0 110.007 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.59 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 75.1 mtt180 -123.05 170.42 10.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.68 -0.638 . . . . 0.0 109.484 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.0 p -57.77 171.3 0.5 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.231 -0.918 . . . . 0.0 109.678 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.12 -26.13 48.77 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.58 -0.7 . . . . 0.0 110.715 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -52.71 -40.88 63.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.775 -1.203 . . . . 0.0 109.402 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.0 ttp -64.31 -36.4 83.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.124 -0.985 . . . . 0.0 108.641 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.656 HG21 ' OE2' ' B' ' 192' ' ' GLU . 28.1 m -59.64 -40.43 87.62 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.462 -0.774 . . . . 0.0 108.961 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.55 98.84 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.171 -0.956 . . . . 0.0 108.727 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.0 -36.3 83.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.285 -0.884 . . . . 0.0 109.093 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.92 98.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.226 -0.921 . . . . 0.0 108.941 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.7 m -61.71 -41.89 98.21 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.364 -0.835 . . . . 0.0 109.148 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -61.41 -40.77 95.6 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.301 -0.874 . . . . 0.0 109.052 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 52' ' ' LEU . 32.2 tp -59.64 -40.72 88.61 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.335 -0.853 . . . . 0.0 109.109 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.799 HD21 HH11 ' B' ' 198' ' ' ARG . 26.5 tp -60.02 -40.32 88.89 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.335 -0.853 . . . . 0.0 108.705 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -59.89 -39.49 85.53 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.7 m -60.38 -41.58 94.05 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.633 -0.667 . . . . 0.0 109.62 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.643 HG21 HD22 ' B' ' 202' ' ' LEU . 84.1 mt -59.62 -55.09 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.187 -0.946 . . . . 0.0 109.247 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.575 ' OE2' ' NZ ' ' A' ' 61' ' ' LYS . 85.6 tt0 -62.61 -38.0 88.49 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.23 -31.4 69.95 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.428 -0.795 . . . . 0.0 108.91 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 55' ' ' THR . 84.8 t80 -59.23 -54.17 49.97 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.244 -0.91 . . . . 0.0 109.481 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.652 ' HE3' HD11 ' B' ' 202' ' ' LEU . 70.4 mttt -62.46 -43.27 99.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.126 -0.984 . . . . 0.0 109.654 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.575 ' NZ ' ' OE2' ' A' ' 57' ' ' GLU . 19.5 mttp -82.77 -2.98 55.94 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.259 -0.901 . . . . 0.0 110.103 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.5 tt0 -50.01 -33.94 19.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.195 -0.941 . . . . 0.0 109.997 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.2 mt -68.06 -41.09 84.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.131 -0.981 . . . . 0.0 109.744 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.86 -5.37 84.05 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.92 0.1 81.59 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -68.26 -46.9 69.15 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.115 -1.226 . . . . 0.0 109.41 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.8 t -64.6 -39.17 93.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.68 -0.638 . . . . 0.0 109.491 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 68' ' ' GLU . 47.0 mp0 -65.23 -28.55 69.44 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.452 -0.78 . . . . 0.0 109.934 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -39.22 -37.4 0.41 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.341 -0.849 . . . . 0.0 109.854 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -112.5 132.84 54.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.402 -0.811 . . . . 0.0 109.073 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 51.02 48.34 23.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.097 -1.002 . . . . 0.0 109.092 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.2 p -57.59 -36.48 71.79 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.213 -0.929 . . . . 0.0 110.023 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.47 -42.38 96.09 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.958 -1.089 . . . . 0.0 109.65 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -70.77 -48.34 54.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.283 -0.886 . . . . 0.0 110.536 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.9 m -61.61 -44.13 97.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.053 -1.029 . . . . 0.0 110.114 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 76' ' ' LEU . 95.4 mt -66.71 -36.38 82.36 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.32 -0.862 . . . . 0.0 109.807 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' A' ' 81' ' ' THR . 73.9 t60 -60.52 -45.49 93.65 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.342 -0.849 . . . . 0.0 110.007 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.55 -49.78 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.042 -1.036 . . . . 0.0 109.981 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 96.7 mmm -67.98 -46.32 71.68 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.283 -0.885 . . . . 0.0 110.212 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.597 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 55.1 t-20 -68.02 -43.87 77.8 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.141 -0.974 . . . . 0.0 111.097 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.63 HG22 ' HD2' ' A' ' 88' ' ' LYS . 37.5 m -68.13 -47.66 67.5 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.165 -0.96 . . . . 0.0 111.83 -178.236 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.7 mt -70.27 -34.09 72.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.804 -1.185 . . . . 0.0 111.047 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.9 mt -78.58 -34.25 17.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.051 -1.031 . . . . 0.0 110.951 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.597 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 78.8 m80 -91.72 -27.7 17.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.024 -1.048 . . . . 0.0 111.231 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -87.76 108.0 18.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.728 -1.233 . . . . 0.0 109.724 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -62.19 -39.62 93.31 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.505 -0.747 . . . . 0.0 111.173 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.77 -44.43 96.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.962 -1.087 . . . . 0.0 110.181 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.63 ' HD2' HG22 ' A' ' 81' ' ' THR . 37.7 mttt -63.88 -30.99 72.02 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.158 -0.964 . . . . 0.0 108.991 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.58 67.66 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.249 -0.907 . . . . 0.0 110.134 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -63.51 -48.51 77.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.909 -1.119 . . . . 0.0 110.495 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.757 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -63.96 -40.15 88.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.987 -1.071 . . . . 0.0 108.502 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.757 ' N ' HD12 ' A' ' 91' ' ' ILE . 47.2 t80 -65.66 -48.36 72.38 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.67 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 71.1 mtm -68.74 -39.18 80.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.434 -0.791 . . . . 0.0 110.044 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.4 tp -60.43 -40.88 92.69 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.036 -1.04 . . . . 0.0 108.99 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -63.54 -44.17 95.0 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.32 -0.863 . . . . 0.0 109.171 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -64.09 -42.19 97.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.412 -0.805 . . . . 0.0 109.611 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 93' ' ' MET . 47.5 p -59.68 -43.89 93.84 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.165 -0.959 . . . . 0.0 109.801 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 96.2 mmm -63.76 -43.16 97.23 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.199 -0.938 . . . . 0.0 109.148 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.8 m -70.91 -38.21 72.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.533 -0.729 . . . . 0.0 109.795 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.586 HD21 ' SG ' ' A' ' 124' ' ' CYS . 28.7 tp -62.41 -42.6 99.56 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.257 -0.902 . . . . 0.0 110.152 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.822 ' CE2' HD11 ' A' ' 105' ' ' LEU . 88.3 t80 -67.9 -48.03 67.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.158 -0.964 . . . . 0.0 110.332 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -59.11 -45.08 91.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.105 -0.997 . . . . 0.0 109.478 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.18 -37.93 89.18 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.319 -0.863 . . . . 0.0 109.388 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -60.73 -45.02 95.85 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.272 -0.892 . . . . 0.0 109.66 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.822 HD11 ' CE2' ' A' ' 101' ' ' TYR . 77.3 mt -59.73 -41.8 91.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.197 -0.939 . . . . 0.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -61.58 -38.62 88.21 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.175 -0.953 . . . . 0.0 109.598 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.581 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.5 mm-40 -62.03 -39.77 93.45 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.163 -0.96 . . . . 0.0 109.904 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.915 HD13 HD11 ' A' ' 161' ' ' LEU . 52.7 mt -65.28 -39.07 92.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.029 -1.045 . . . . 0.0 109.207 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -78.37 -53.24 7.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.407 -0.808 . . . . 0.0 110.367 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -85.33 -23.01 28.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.373 -0.829 . . . . 0.0 110.457 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -110.52 155.69 15.97 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.099 -1.201 . . . . 0.0 110.099 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.61 150.58 83.78 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.803 2.335 . . . . 0.0 111.844 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.489 ' CZ2' HG21 ' A' ' 166' ' ' ILE . 0.4 OUTLIER -91.52 123.84 35.24 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.268 -0.895 . . . . 0.0 109.644 -179.638 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -134.35 166.11 23.59 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.259 -0.901 . . . . 0.0 109.334 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.93 -32.02 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 121.194 -0.941 . . . . 0.0 109.417 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.7 mtm -59.62 -40.31 87.14 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.457 -0.777 . . . . 0.0 109.633 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.87 -38.18 90.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.281 -0.887 . . . . 0.0 109.33 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -60.95 -41.27 95.97 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.193 -0.942 . . . . 0.0 109.117 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -62.27 -40.41 96.13 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.345 -0.847 . . . . 0.0 109.462 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.8 t -61.99 -41.43 98.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.255 -0.903 . . . . 0.0 109.691 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.446 HD23 HD22 ' A' ' 158' ' ' LEU . 17.2 tp -62.25 -43.16 99.46 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.238 -0.913 . . . . 0.0 109.293 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -57.09 -40.05 76.21 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.992 -1.068 . . . . 0.0 108.625 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.0 m -68.16 -42.39 80.14 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.324 -0.86 . . . . 0.0 108.887 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.586 ' SG ' HD21 ' A' ' 100' ' ' LEU . 53.5 m -60.11 -46.53 89.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.242 -0.911 . . . . 0.0 109.67 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.23 -37.51 73.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.121 -0.987 . . . . 0.0 108.56 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.77 -39.25 91.0 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.36 -0.837 . . . . 0.0 109.256 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.56 -44.82 93.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.211 -0.931 . . . . 0.0 109.288 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.736 ' CD1' HD11 ' A' ' 151' ' ' ILE . 35.8 t80 -68.66 -43.32 76.44 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.33 -0.856 . . . . 0.0 109.694 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.6 m -64.22 -39.58 94.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.32 -0.862 . . . . 0.0 110.477 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.663 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 71.6 m -67.46 -49.96 61.27 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.015 -1.053 . . . . 0.0 110.018 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 79.1 mt -65.05 -46.15 92.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.153 -0.967 . . . . 0.0 109.366 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.587 ' O ' ' N ' ' A' ' 136' ' ' LYS . 40.7 tp -63.1 -39.16 93.88 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.46 -0.775 . . . . 0.0 109.693 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -58.41 -49.42 77.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.238 -0.914 . . . . 0.0 110.055 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 38.4 tp -64.59 -43.16 94.71 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.09 -1.007 . . . . 0.0 109.693 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -87.12 -1.2 57.71 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.374 -0.829 . . . . 0.0 110.297 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.3 OUTLIER -52.96 -35.52 58.99 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.151 -0.968 . . . . 0.0 109.861 -179.418 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -62.28 -26.25 68.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.245 -0.91 . . . . 0.0 109.185 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -89.55 -2.26 58.28 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.359 -0.838 . . . . 0.0 109.873 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.4 mm -104.61 141.55 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.166 -0.959 . . . . 0.0 109.532 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.0 m -77.51 155.19 31.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.0 108.822 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -55.61 -43.5 76.13 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.068 -1.02 . . . . 0.0 109.538 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 31.2 m -70.65 -42.79 70.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.923 -1.111 . . . . 0.0 108.88 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.7 t -58.97 -40.24 84.18 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -38.93 87.76 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -57.6 -41.1 80.53 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.48 -0.763 . . . . 0.0 109.386 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 93.5 p -64.18 -46.09 85.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.254 -0.904 . . . . 0.0 109.765 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 147' ' ' LEU . 10.3 mp -69.05 -43.35 74.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.088 -1.007 . . . . 0.0 108.977 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.779 ' HA ' HE21 ' A' ' 148' ' ' GLN . 0.0 OUTLIER -63.4 -35.58 80.88 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.196 -0.94 . . . . 0.0 108.564 179.173 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.58 -42.33 96.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.411 -0.806 . . . . 0.0 109.02 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -60.36 -42.21 95.31 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.736 HD11 ' CD1' ' A' ' 128' ' ' PHE . 92.5 mt -61.88 -38.55 80.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.02 -42.18 79.92 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.636 ' HA ' HD12 ' A' ' 156' ' ' ILE . 70.2 t80 -59.14 -40.44 85.52 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' CYS . . . . . 0.667 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 64.3 m -60.33 -50.55 73.18 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 119.659 -0.816 . . . . 0.0 108.819 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -61.8 -36.86 82.33 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.26 -0.9 . . . . 0.0 109.198 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 153' ' ' TYR . 46.4 mt -58.34 -47.91 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 O-C-N 121.263 -0.898 . . . . 0.0 109.814 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.65 -38.15 90.02 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.446 HD22 HD23 ' A' ' 121' ' ' LEU . 46.8 tp -59.45 -46.55 88.43 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.632 -0.667 . . . . 0.0 109.38 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.1 m -64.16 -35.67 81.55 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.255 -0.903 . . . . 0.0 108.576 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' LYS . . . . . 0.436 ' NZ ' ' C ' ' A' ' 166' ' ' ILE . 16.6 tttm -60.61 -41.74 95.41 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.915 HD11 HD13 ' A' ' 108' ' ' LEU . 88.8 mt -64.6 -35.54 81.33 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.86 71.61 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.464 -0.772 . . . . 0.0 109.036 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -80.99 -10.65 59.68 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.307 -0.87 . . . . 0.0 109.331 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 90.73 1.54 73.67 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -94.8 139.81 30.77 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.142 -1.211 . . . . 0.0 109.73 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.489 HG21 ' CZ2' ' A' ' 113' ' ' TRP . 4.4 tp . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.823 . . . . 0.0 109.523 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 192' ' ' GLU . . . . . 0.656 ' OE2' HG21 ' A' ' 46' ' ' THR . 96.6 mt-10 . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.63 -40.34 94.51 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.311 -0.868 . . . . 0.0 109.017 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -60.9 -41.78 96.77 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.36 -0.838 . . . . 0.0 109.363 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 195' ' ' LEU . . . . . 0.457 ' HG ' HD22 ' A' ' 53' ' ' LEU . 8.2 tt -59.38 -41.76 90.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.263 -0.898 . . . . 0.0 109.171 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.56 95.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.329 -0.857 . . . . 0.0 109.216 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.29 -35.53 81.29 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.276 -0.89 . . . . 0.0 109.248 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 198' ' ' ARG . . . . . 0.799 HH11 HD21 ' A' ' 53' ' ' LEU . 67.0 ttt180 -60.75 -43.38 98.02 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.189 -0.945 . . . . 0.0 109.194 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 199' ' ' LEU . . . . . 0.449 HD22 HG21 ' A' ' 32' ' ' VAL . 1.4 tp -63.26 -41.97 99.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.255 -0.903 . . . . 0.0 109.385 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -59.15 -39.01 81.08 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.256 -0.902 . . . . 0.0 109.188 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.8 -35.52 80.25 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.256 -0.903 . . . . 0.0 108.848 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 202' ' ' LEU . . . . . 0.652 HD11 ' HE3' ' A' ' 60' ' ' LYS . 15.7 tp -60.13 -39.88 87.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.465 -0.772 . . . . 0.0 109.192 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -102.12 4.67 39.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.342 -0.849 . . . . 0.0 109.566 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 CA-C-O 117.955 -1.469 . . . . 0.0 109.543 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tpp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.63 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -58.95 -40.08 83.61 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.165 -0.959 . . . . 0.0 109.142 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -63.67 -38.72 92.16 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.245 -0.91 . . . . 0.0 109.191 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -57.46 -41.59 80.86 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.128 -0.983 . . . . 0.0 108.596 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 1.066 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -65.28 -39.86 93.13 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.42 97.1 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.393 -0.817 . . . . 0.0 109.681 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.446 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.52 -42.3 96.16 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.181 -0.95 . . . . 0.0 109.14 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.595 ' CG1' HD13 ' A' ' 27' ' ' LEU . 55.9 t -65.11 -37.99 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.257 -0.902 . . . . 0.0 109.797 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 5' ' ' ALA . 79.0 t -60.64 -39.25 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.138 -0.976 . . . . 0.0 108.789 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.91 91.85 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.36 -0.838 . . . . 0.0 108.943 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.28 -32.93 70.95 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.71 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -59.26 -44.95 92.37 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.191 -0.943 . . . . 0.0 108.698 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.05 -41.81 99.58 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.262 -0.899 . . . . 0.0 108.631 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -60.68 -40.25 91.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.411 -0.806 . . . . 0.0 109.215 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -61.55 -42.51 98.94 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.413 -0.805 . . . . 0.0 109.251 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.403 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 21.8 t70 -58.9 -38.8 79.71 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 0.0 108.823 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -60.0 -30.05 68.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.379 -0.825 . . . . 0.0 109.232 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 18' ' ' VAL . 60.1 t -84.06 -3.51 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.426 -0.796 . . . . 0.0 109.797 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.43 11.82 63.8 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.1 mt -95.57 36.63 1.25 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.412 -1.052 . . . . 0.0 108.947 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.65 -32.78 25.29 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.2 mm -58.69 -48.01 87.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.069 -1.254 . . . . 0.0 109.335 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.5 mm -64.87 -44.19 96.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.211 -0.93 . . . . 0.0 109.105 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.9 -40.55 95.42 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.763 ' CE2' HD11 ' A' ' 29' ' ' LEU . 66.0 t80 -62.59 -48.36 79.79 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.23 -1.159 . . . . 0.0 110.943 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 71.2 t80 -66.32 -47.12 74.56 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.017 -1.052 . . . . 0.0 110.818 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 12' ' ' ALA . 1.7 pp -68.83 -35.65 77.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.021 -1.049 . . . . 0.0 110.095 -179.198 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.478 ' N ' HD12 ' A' ' 27' ' ' LEU . 7.6 tp-100 -60.46 -42.37 96.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.81 -1.181 . . . . 0.0 108.467 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.763 HD11 ' CE2' ' A' ' 25' ' ' TYR . 76.7 mt -59.76 -42.21 92.73 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.622 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 73.3 t80 -63.59 -36.17 82.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.325 -0.86 . . . . 0.0 108.998 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.07 83.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.347 -0.845 . . . . 0.0 109.504 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.566 HG21 HD22 ' B' ' 199' ' ' LEU . 0.6 OUTLIER -66.51 -39.05 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.94 -1.1 . . . . 0.0 108.657 179.432 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.68 -35.5 78.18 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.797 -1.189 . . . . 0.0 108.302 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.066 HD23 ' HB2' ' A' ' 5' ' ' ALA . 22.4 tp -63.43 -41.47 98.68 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.567 -0.708 . . . . 0.0 109.318 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.19 -48.15 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 O-C-N 121.205 -0.934 . . . . 0.0 110.074 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.5 mp -64.35 -36.69 84.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 109.409 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.7 p -74.79 -21.74 59.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.24 -0.913 . . . . 0.0 108.574 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.63 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 82.3 tt0 -73.02 150.81 42.09 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.335 0.588 . . . . 0.0 109.679 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.35 150.22 15.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.252 -0.905 . . . . 0.0 109.69 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -58.49 137.08 57.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.459 -0.776 . . . . 0.0 110.305 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.595 ' HE ' ' CD ' ' A' ' 38' ' ' GLU . 95.2 mtt-85 -121.93 170.37 9.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.701 -0.624 . . . . 0.0 109.48 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.7 t -57.35 170.99 0.45 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.245 -0.909 . . . . 0.0 110.319 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.61 -28.77 61.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.571 -0.706 . . . . 0.0 110.85 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -51.3 -38.9 55.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.83 -1.169 . . . . 0.0 109.149 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.577 ' O ' ' SD ' ' A' ' 45' ' ' MET . 5.3 tmm? -64.44 -37.69 88.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.233 -0.917 . . . . 0.0 108.839 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.1 m -59.39 -40.81 87.74 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.36 -0.838 . . . . 0.0 109.435 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.44 96.46 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.246 -0.909 . . . . 0.0 108.973 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 48' ' ' LEU . 85.1 mt -63.28 -37.32 86.77 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.312 -0.867 . . . . 0.0 109.32 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.02 93.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.274 -0.891 . . . . 0.0 108.864 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.2 m -62.01 -41.06 97.67 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.333 -0.854 . . . . 0.0 109.264 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.59 -42.48 98.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.227 -0.921 . . . . 0.0 109.529 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.4 mt -61.52 -39.34 90.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.948 . . . . 0.0 109.149 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.53 HD12 HD12 ' A' ' 56' ' ' ILE . 37.6 tp -60.11 -40.15 88.69 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.258 -0.901 . . . . 0.0 108.809 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -60.22 -39.9 88.26 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.1 m -60.28 -41.49 93.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.62 -0.675 . . . . 0.0 109.536 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.61 HG21 HD22 ' B' ' 202' ' ' LEU . 80.9 mt -58.24 -51.16 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.164 -0.96 . . . . 0.0 108.848 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.45 -36.14 79.56 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.576 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -63.97 -33.89 76.75 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -59.4 -54.38 47.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.384 -0.822 . . . . 0.0 108.806 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -62.67 -40.17 96.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.252 -0.905 . . . . 0.0 108.939 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -82.15 -0.94 47.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.447 -0.783 . . . . 0.0 109.602 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.9 tt0 -47.65 -33.07 6.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.336 -0.853 . . . . 0.0 110.31 -179.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.978 HD11 ' SD ' ' A' ' 79' ' ' MET . 82.5 mt -67.49 -37.94 79.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.013 -1.054 . . . . 0.0 109.556 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.74 -5.25 12.39 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.416 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 93.67 -6.59 74.1 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.52 -46.5 82.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.138 -1.213 . . . . 0.0 109.596 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.448 ' O ' ' O ' ' A' ' 70' ' ' GLU . 8.3 t -65.43 -31.39 72.46 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.911 . . . . 0.0 108.982 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.16 -28.27 67.78 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.473 -0.767 . . . . 0.0 109.551 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.36 92.68 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.997 -1.064 . . . . 0.0 109.931 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.5 mt-10 -135.83 146.26 47.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.23 -0.919 . . . . 0.0 110.018 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 49.16 40.91 18.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.403 -0.811 . . . . 0.0 109.348 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.7 p -65.01 -36.61 84.97 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.25 -0.906 . . . . 0.0 110.036 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.51 -42.09 95.67 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.147 -0.971 . . . . 0.0 109.816 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -66.85 -47.61 71.43 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.23 -0.919 . . . . 0.0 110.615 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.6 p -66.35 -40.89 90.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.034 -1.041 . . . . 0.0 109.973 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.0 mt -68.35 -39.88 81.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.37 -0.831 . . . . 0.0 110.206 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.421 ' O ' ' OG1' ' A' ' 81' ' ' THR . 32.6 t-80 -61.87 -45.52 93.41 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.188 -0.945 . . . . 0.0 110.504 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.47 -49.57 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.937 -1.102 . . . . 0.0 110.494 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.978 ' SD ' HD11 ' A' ' 63' ' ' ILE . 88.9 mtp -67.92 -46.74 70.69 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.209 -0.932 . . . . 0.0 110.876 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.433 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 20.2 m120 -69.04 -40.44 78.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.865 -1.147 . . . . 0.0 110.971 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.458 HG22 ' HD2' ' A' ' 88' ' ' LYS . 89.5 m -67.17 -49.64 63.98 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.947 -1.095 . . . . 0.0 111.768 -178.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.1 mt -74.56 -33.96 62.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.786 -1.197 . . . . 0.0 111.48 -178.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 91.4 mt -76.38 -38.03 32.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 120.882 -1.136 . . . . 0.0 111.106 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 79.5 m80 -82.28 -37.48 25.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.017 -1.052 . . . . 0.0 111.184 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.538 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 88.1 m-20 -84.96 108.05 17.39 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.845 -1.159 . . . . 0.0 110.077 -179.167 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -62.53 -38.77 91.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.468 -0.77 . . . . 0.0 110.348 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.98 -44.48 95.93 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.066 -1.021 . . . . 0.0 110.183 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.538 ' NZ ' ' OD2' ' A' ' 85' ' ' ASP . 49.5 mttp -62.22 -30.97 71.46 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.145 -0.972 . . . . 0.0 108.651 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.29 -43.83 80.75 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.277 -0.89 . . . . 0.0 110.05 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.8 tttt -64.35 -48.45 75.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.048 -1.033 . . . . 0.0 111.36 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.099 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -64.06 -38.66 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 120.676 -1.265 . . . . 0.0 109.14 -178.596 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 1.099 ' N ' HD13 ' A' ' 91' ' ' ILE . 56.8 t80 -63.27 -44.03 96.26 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.955 -1.09 . . . . 0.0 108.114 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 72.5 mtm -70.45 -40.95 73.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.564 -0.71 . . . . 0.0 109.698 179.35 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.09 -40.89 95.42 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.046 -1.034 . . . . 0.0 108.862 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -62.26 -41.57 98.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.419 -0.801 . . . . 0.0 109.043 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.52 ' CE2' HD22 ' A' ' 100' ' ' LEU . 72.4 t80 -62.67 -46.95 85.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.462 -0.774 . . . . 0.0 109.57 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 34.5 p -62.35 -42.57 99.5 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.154 -0.966 . . . . 0.0 109.598 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.6 ttm -63.23 -43.77 97.11 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.283 -0.886 . . . . 0.0 109.437 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.6 p -75.07 -35.87 61.82 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.245 -0.91 . . . . 0.0 109.742 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.52 HD22 ' CE2' ' A' ' 96' ' ' PHE . 33.7 tp -67.84 -44.99 75.91 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.227 -0.921 . . . . 0.0 109.881 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.664 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 71.2 t80 -68.42 -46.17 70.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.345 -0.847 . . . . 0.0 109.979 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -60.66 -46.29 90.89 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.261 -0.9 . . . . 0.0 109.807 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.26 -45.43 84.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.182 -0.949 . . . . 0.0 108.959 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.42 ' HE3' HD23 ' A' ' 121' ' ' LEU . 6.8 ttpm? -62.61 -37.76 87.54 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.395 -0.815 . . . . 0.0 108.838 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.0 tp -56.27 -47.29 78.88 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.506 -0.747 . . . . 0.0 109.029 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -60.7 -38.15 84.04 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 121.189 -0.944 . . . . 0.0 109.164 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.591 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.7 mm-40 -59.65 -38.9 82.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.379 -0.825 . . . . 0.0 109.273 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 63.2 mt -65.14 -37.67 88.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.93 -1.106 . . . . 0.0 109.062 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -77.25 -53.01 8.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.436 -0.79 . . . . 0.0 110.932 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -95.38 -22.66 17.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.193 -0.942 . . . . 0.0 110.71 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -93.4 155.65 22.32 Favored Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.651 -1.261 . . . . 0.0 109.964 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -66.1 153.68 77.12 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.715 2.276 . . . . 0.0 111.749 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.748 ' CZ2' HG21 ' A' ' 166' ' ' ILE . 13.6 m-90 -94.26 124.58 38.36 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.19 -0.944 . . . . 0.0 109.735 -179.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 86.9 m-20 -134.6 165.67 24.68 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.281 -0.887 . . . . 0.0 109.38 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.8 m -64.02 -31.94 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.242 -0.911 . . . . 0.0 109.253 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.9 mtm -59.34 -38.97 81.71 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.367 -0.833 . . . . 0.0 109.379 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.55 -37.91 89.13 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.264 -0.898 . . . . 0.0 109.164 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.477 ' HA ' HD12 ' A' ' 121' ' ' LEU . 23.8 mttm -60.42 -41.83 94.78 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.235 -0.916 . . . . 0.0 108.913 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -62.19 -40.04 94.72 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.435 -0.79 . . . . 0.0 109.397 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.6 m -63.03 -38.88 92.96 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.369 -0.832 . . . . 0.0 109.591 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 118' ' ' LYS . 16.3 mt -62.85 -41.6 99.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.308 -0.87 . . . . 0.0 109.64 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.805 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 86.6 m95 -63.92 -41.08 97.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.167 -0.958 . . . . 0.0 109.624 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.71 -41.36 92.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.276 -0.89 . . . . 0.0 109.928 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 78.8 m -58.82 -48.09 82.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.101 -0.999 . . . . 0.0 109.635 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.49 -37.24 74.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.177 -0.952 . . . . 0.0 109.097 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.459 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 91.1 m-20 -58.78 -39.4 80.94 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.23 -0.919 . . . . 0.0 108.847 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.45 -41.27 98.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.38 -0.825 . . . . 0.0 109.061 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.43 ' O ' ' CB ' ' A' ' 132' ' ' LEU . 28.5 m-85 -66.25 -42.75 88.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.319 -0.863 . . . . 0.0 110.03 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.2 p -66.81 -39.22 87.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.229 -0.92 . . . . 0.0 110.238 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.622 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 55.9 m -69.03 -50.08 51.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.056 -1.028 . . . . 0.0 109.992 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.452 HG23 ' CE3' ' A' ' 135' ' ' TRP . 73.4 mt -69.72 -46.5 74.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 O-C-N 121.356 -0.84 . . . . 0.0 109.923 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.43 ' CB ' ' O ' ' A' ' 128' ' ' PHE . 28.6 tp -61.07 -41.8 97.31 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.268 -0.895 . . . . 0.0 110.217 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -64.97 -49.75 69.09 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.174 -0.954 . . . . 0.0 111.203 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 36.7 tp -65.52 -46.03 81.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.026 -1.046 . . . . 0.0 110.904 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' TRP . . . . . 0.452 ' CE3' HG23 ' A' ' 131' ' ' ILE . 4.8 m-90 -87.37 4.62 42.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.155 -0.965 . . . . 0.0 110.897 -178.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -43.15 60.8 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.028 -1.045 . . . . 0.0 109.574 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.95 -20.31 64.2 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.326 -0.859 . . . . 0.0 109.554 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -89.0 -6.42 57.24 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.233 -0.917 . . . . 0.0 110.205 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.9 mt -112.02 147.67 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.376 -0.827 . . . . 0.0 109.664 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.4 m -76.53 155.19 33.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.367 -0.833 . . . . 0.0 109.543 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -56.86 -37.1 70.85 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.402 -0.811 . . . . 0.0 109.979 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 36.3 m -74.17 -45.53 47.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.693 -1.254 . . . . 0.0 109.498 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 36.7 t -64.08 -44.98 90.72 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.165 -0.96 . . . . 0.0 109.788 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.566 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 1.2 t -63.6 -38.93 92.98 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.044 -1.035 . . . . 0.0 108.56 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ASN . . . . . 0.424 ' N ' ' CG2' ' A' ' 144' ' ' THR . 1.6 t30 -55.55 -41.69 73.61 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.257 -0.902 . . . . 0.0 108.66 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.8 m -61.99 -42.28 98.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.411 -0.806 . . . . 0.0 108.896 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 53.4 mt -61.45 -38.86 88.73 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.62 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -61.21 -35.86 78.33 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.134 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.54 -43.65 98.47 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.384 -0.822 . . . . 0.0 109.2 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -60.13 -40.0 88.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.264 -0.897 . . . . 0.0 108.691 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 148' ' ' GLN . 92.2 mt -61.49 -39.57 83.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -58.7 -38.99 79.47 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.307 -0.871 . . . . 0.0 108.821 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -61.1 -42.4 98.44 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' CYS . . . . . 0.664 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 74.4 m -65.95 -50.62 63.71 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.32 -0.862 . . . . 0.0 109.074 179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -63.51 -39.67 95.04 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.281 -0.887 . . . . 0.0 109.167 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 26.9 mt -59.93 -47.94 89.69 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.294 -0.878 . . . . 0.0 109.676 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.528 ' CE2' HD11 ' A' ' 166' ' ' ILE . 2.0 t80 -63.52 -37.78 88.61 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.805 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 27.5 tp -58.79 -40.22 83.39 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.0 t -62.44 -36.34 82.11 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.364 -0.835 . . . . 0.0 108.992 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -60.93 -41.97 97.26 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.379 -0.826 . . . . 0.0 109.084 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 161' ' ' LEU . 4.4 mm? -65.84 -35.25 80.13 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.936 . . . . 0.0 109.339 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.47 85.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.892 . . . . 0.0 109.754 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -81.69 -12.06 58.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.35 -4.52 80.4 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -95.31 142.96 27.1 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.283 -1.128 . . . . 0.0 109.232 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.748 HG21 ' CZ2' ' A' ' 113' ' ' TRP . 10.3 tp . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.355 -0.84 . . . . 0.0 109.557 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 N--CA 1.486 1.361 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.69 -41.33 97.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.356 -0.84 . . . . 0.0 109.209 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -61.69 -42.47 98.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.232 -0.917 . . . . 0.0 109.426 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 37.6 tp -62.82 -40.87 98.72 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.197 -0.939 . . . . 0.0 109.366 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.9 97.6 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.252 -0.905 . . . . 0.0 109.209 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.08 -35.18 80.33 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.24 -0.913 . . . . 0.0 109.162 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -60.21 -43.75 95.7 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.292 -0.88 . . . . 0.0 109.325 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 199' ' ' LEU . . . . . 0.566 HD22 HG21 ' A' ' 32' ' ' VAL . 3.5 tp -63.81 -43.04 97.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.915 . . . . 0.0 109.345 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -58.52 -37.83 76.47 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.321 -0.862 . . . . 0.0 109.018 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.81 81.48 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 202' ' ' LEU . . . . . 0.61 HD22 HG21 ' A' ' 56' ' ' ILE . 5.8 tp -59.59 -39.72 85.1 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.55 -0.719 . . . . 0.0 109.076 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -87.71 -10.04 52.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.341 -0.849 . . . . 0.0 109.262 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.827 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mtp . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.331 0.586 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.625 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -59.42 -40.84 87.99 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.157 -0.965 . . . . 0.0 109.218 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -63.54 -38.52 91.45 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.165 -0.959 . . . . 0.0 108.99 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -57.34 -39.49 76.0 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.72 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.17 -39.88 94.93 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.32 94.87 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.37 -0.831 . . . . 0.0 109.208 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -60.3 -42.0 94.61 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.602 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -60.53 -38.51 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.26 -0.9 . . . . 0.0 109.336 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.98 -37.97 78.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.25 -0.906 . . . . 0.0 108.775 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.85 97.74 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.402 -0.919 . . . . 0.0 108.64 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 7' ' ' ARG . 4.9 p -72.15 -32.99 67.4 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.409 -0.807 . . . . 0.0 109.032 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.83 86.27 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.379 -0.826 . . . . 0.0 109.119 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -64.39 -46.05 85.0 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.352 -0.842 . . . . 0.0 109.079 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -61.84 -39.15 90.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.257 -0.902 . . . . 0.0 109.245 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.55 -43.47 97.18 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.31 -0.869 . . . . 0.0 109.156 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.49 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 55.5 t0 -60.03 -38.06 81.6 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.263 -0.898 . . . . 0.0 109.053 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -59.25 -30.33 68.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.369 -0.832 . . . . 0.0 109.166 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 18' ' ' VAL . 65.7 t -83.83 -8.84 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.36 -0.837 . . . . 0.0 109.424 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.39 17.02 56.28 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.7 mt -95.75 47.74 1.12 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.367 -1.078 . . . . 0.0 109.243 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.32 -34.23 53.8 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.789 -1.325 . . . . 0.0 109.789 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 22' ' ' ILE . 8.6 mm -60.27 -51.22 75.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.144 -1.209 . . . . 0.0 109.421 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.1 mm -64.55 -42.04 94.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.296 -0.877 . . . . 0.0 109.15 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.558 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -58.98 -39.56 94.35 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.749 ' CE2' HD11 ' A' ' 29' ' ' LEU . 67.3 t80 -63.22 -47.64 81.66 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.161 -1.199 . . . . 0.0 110.394 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.675 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 69.2 t80 -60.28 -46.48 89.69 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.235 -0.916 . . . . 0.0 111.298 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.558 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.7 pp -64.43 -33.24 75.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.557 -1.34 . . . . 0.0 109.745 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.499 ' N ' HD12 ' A' ' 27' ' ' LEU . 92.6 mt-30 -60.0 -39.63 86.41 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.617 -1.302 . . . . 0.0 107.834 178.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.749 HD11 ' CE2' ' A' ' 25' ' ' TYR . 85.6 mt -61.34 -38.04 85.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 178.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -65.85 -37.45 86.23 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.408 -0.807 . . . . 0.0 109.495 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.52 93.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.336 -0.853 . . . . 0.0 110.383 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.414 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -65.24 -42.86 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.836 -1.165 . . . . 0.0 109.237 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.66 -35.35 77.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.907 -1.12 . . . . 0.0 109.009 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.72 HD23 ' HB2' ' A' ' 5' ' ' ALA . 28.9 tp -64.44 -42.45 95.99 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.353 -0.842 . . . . 0.0 109.954 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.408 HD11 ' CD1' ' A' ' 52' ' ' LEU . 92.9 mt -62.4 -48.03 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.119 -0.988 . . . . 0.0 110.115 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -62.67 -36.06 81.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.313 -0.867 . . . . 0.0 109.246 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.3 m -83.91 0.03 49.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.257 -0.902 . . . . 0.0 108.973 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.625 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 84.5 tt0 -89.82 150.01 22.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.481 -0.762 . . . . 0.0 109.909 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.07 151.15 15.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.409 -0.807 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -57.9 130.64 47.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 0.0 109.707 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.412 HH11 ' HB2' ' A' ' 45' ' ' MET . 57.5 ttt-85 -117.41 169.71 9.3 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.7 p -57.77 166.5 1.39 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.124 -0.985 . . . . 0.0 110.417 -178.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.76 -32.03 65.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.668 -0.645 . . . . 0.0 110.652 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.06 -37.11 31.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.832 -1.167 . . . . 0.0 108.346 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.563 ' O ' ' SD ' ' A' ' 45' ' ' MET . 4.8 tmm? -63.28 -38.15 90.03 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.428 -0.795 . . . . 0.0 108.919 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.7 m -59.69 -40.49 88.03 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.494 -0.753 . . . . 0.0 109.146 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.85 97.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.236 -0.915 . . . . 0.0 108.904 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 48' ' ' LEU . 89.1 mt -63.72 -37.45 87.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.868 . . . . 0.0 109.239 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.78 97.36 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.238 -0.914 . . . . 0.0 108.791 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.2 m -60.7 -39.86 90.12 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.308 -0.87 . . . . 0.0 109.085 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.51 -40.94 96.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.352 -0.842 . . . . 0.0 109.455 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' CD1' HD11 ' A' ' 35' ' ' ILE . 81.5 mt -60.75 -42.27 97.07 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.148 -0.97 . . . . 0.0 109.518 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.577 HD12 ' HD3' ' B' ' 198' ' ' ARG . 3.9 mm? -60.76 -40.47 92.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.019 -1.05 . . . . 0.0 108.68 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -61.61 -37.84 85.42 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 59' ' ' PHE . 48.5 m -59.88 -41.29 91.25 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.672 -0.643 . . . . 0.0 109.667 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.58 HG21 HD22 ' B' ' 202' ' ' LEU . 81.6 mt -57.55 -53.98 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.045 -1.035 . . . . 0.0 108.797 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -62.39 -36.95 83.91 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.601 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.99 -32.3 72.61 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 55' ' ' THR . 78.7 t80 -59.43 -54.09 50.67 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.336 -0.853 . . . . 0.0 109.344 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -62.45 -44.0 97.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.957 . . . . 0.0 109.603 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -83.2 -2.23 55.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.32 -0.862 . . . . 0.0 110.345 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.601 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.41 -34.94 17.68 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 110.046 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.72 HD11 ' SD ' ' A' ' 79' ' ' MET . 86.1 mt -68.65 -41.26 82.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.137 -0.977 . . . . 0.0 109.854 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.51 -5.33 81.65 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.99 -0.82 84.52 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -66.73 -46.83 74.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.066 -1.255 . . . . 0.0 108.788 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 t -67.7 -31.41 71.36 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.525 0.679 . . . . 0.0 109.338 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' ALA . 79.0 mm-40 -60.98 -30.04 70.04 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.55 -0.719 . . . . 0.0 109.792 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -40.96 -36.99 0.73 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.232 -0.918 . . . . 0.0 110.375 -179.206 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -113.07 134.06 54.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.213 -0.929 . . . . 0.0 109.777 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 49.78 48.37 21.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.283 -0.886 . . . . 0.0 109.242 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.5 p -59.74 -36.88 77.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.225 -0.922 . . . . 0.0 110.446 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -62.6 -45.44 92.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.069 -1.019 . . . . 0.0 110.453 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -64.34 -41.49 96.75 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.118 -0.989 . . . . 0.0 110.641 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.5 m -62.52 -45.01 94.94 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.015 -1.053 . . . . 0.0 110.101 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 89.2 mt -67.22 -37.57 83.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.185 -0.947 . . . . 0.0 109.916 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.476 ' O ' ' OG1' ' A' ' 81' ' ' THR . 29.3 m170 -60.1 -45.4 93.07 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.173 -0.954 . . . . 0.0 110.372 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.4 t -69.04 -50.37 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.945 -1.097 . . . . 0.0 110.196 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.72 ' SD ' HD11 ' A' ' 63' ' ' ILE . 70.1 mtm -68.51 -46.51 69.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.121 -0.987 . . . . 0.0 110.473 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.584 ' OD1' ' CE1' ' A' ' 84' ' ' HIS . 36.1 t30 -66.53 -43.48 85.08 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.077 -1.014 . . . . 0.0 110.899 -178.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.63 HG22 ' HD2' ' A' ' 88' ' ' LYS . 39.1 m -68.57 -49.05 62.41 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.126 -0.984 . . . . 0.0 111.797 -178.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.8 mt -72.12 -34.14 68.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.795 -1.191 . . . . 0.0 111.279 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 86.8 mt -79.13 -34.57 16.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.02 -1.05 . . . . 0.0 111.188 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.584 ' CE1' ' OD1' ' A' ' 80' ' ' ASN . 78.6 m80 -92.34 -26.65 17.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 0.0 111.269 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.568 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 54.2 t0 -87.84 105.94 17.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.676 -1.265 . . . . 0.0 109.994 -179.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.635 ' OE1' HD21 ' A' ' 134' ' ' LEU . 14.5 tt0 -62.33 -37.31 85.15 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.385 -0.822 . . . . 0.0 110.446 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.97 -45.35 92.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 0.0 109.829 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.63 ' HD2' HG22 ' A' ' 81' ' ' THR . 33.2 mttp -64.89 -34.53 78.6 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.261 -0.899 . . . . 0.0 109.043 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.29 -42.06 72.55 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.132 -0.98 . . . . 0.0 109.312 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -48.4 81.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.126 -0.984 . . . . 0.0 109.768 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.774 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -72.77 -43.05 61.46 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.326 -0.859 . . . . 0.0 109.324 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.774 ' N ' HD12 ' A' ' 91' ' ' ILE . 58.7 t80 -63.41 -48.69 76.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.197 -0.939 . . . . 0.0 109.059 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.675 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 65.0 mtm -65.72 -37.64 86.98 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 0.0 109.686 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.0 tp -61.21 -41.27 96.55 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.08 -1.012 . . . . 0.0 108.952 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -61.9 -42.54 99.19 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.31 -0.869 . . . . 0.0 109.387 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -64.45 -49.0 73.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 0.0 109.763 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.786 HG22 HD23 ' A' ' 127' ' ' LEU . 35.4 p -62.69 -43.52 98.59 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.132 -0.98 . . . . 0.0 109.924 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 94.0 mmm -65.27 -42.07 93.56 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.137 -0.977 . . . . 0.0 109.407 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.8 p -72.58 -36.38 68.16 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.262 -0.899 . . . . 0.0 109.514 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.517 HD21 ' HE3' ' A' ' 104' ' ' LYS . 30.6 tp -66.51 -42.09 87.88 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.285 -0.884 . . . . 0.0 109.667 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.665 ' CZ ' ' SG ' ' A' ' 154' ' ' CYS . 75.8 t80 -64.66 -43.93 92.03 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.396 -0.815 . . . . 0.0 109.975 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -58.95 -46.18 88.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.234 -0.916 . . . . 0.0 109.951 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.17 -45.98 82.68 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.162 -0.961 . . . . 0.0 109.488 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.517 ' HE3' HD21 ' A' ' 100' ' ' LEU . 25.3 mttm -65.02 -36.14 83.44 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.316 -0.865 . . . . 0.0 109.174 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.4 tp -55.42 -48.59 74.18 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.307 -0.871 . . . . 0.0 108.886 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -60.85 -38.04 84.17 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.256 -0.902 . . . . 0.0 108.958 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.59 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.0 mt-30 -60.68 -39.37 88.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.375 -0.828 . . . . 0.0 109.503 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.457 HD22 ' CZ2' ' A' ' 113' ' ' TRP . 52.0 mt -64.81 -37.81 88.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.921 -1.112 . . . . 0.0 109.267 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -77.96 -53.73 7.11 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.308 -0.87 . . . . 0.0 110.808 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -99.0 -22.97 15.47 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.27 -0.894 . . . . 0.0 110.894 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -90.26 148.99 19.98 Favored Glycine 0 N--CA 1.492 2.415 0 C-N-CA 119.52 -1.324 . . . . 0.0 110.166 -178.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -72.34 154.35 56.13 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.653 2.235 . . . . 0.0 112.147 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.528 ' CZ3' HD11 ' A' ' 161' ' ' LEU . 57.5 m95 -86.61 123.73 32.12 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.205 -0.935 . . . . 0.0 109.377 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -131.49 163.04 28.85 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.345 -0.847 . . . . 0.0 109.012 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.449 ' H ' HG13 ' A' ' 115' ' ' VAL . 2.4 m -62.15 -32.75 55.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.183 -0.948 . . . . 0.0 109.112 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.408 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.6 mtm -60.52 -43.4 97.15 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.442 -0.786 . . . . 0.0 109.712 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 72.4 mt -67.69 -37.54 82.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.355 -0.841 . . . . 0.0 109.581 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.411 ' O ' ' CE3' ' A' ' 122' ' ' TRP . 58.2 mttp -60.11 -42.77 95.43 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.262 -0.899 . . . . 0.0 110.037 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -67.4 -45.73 75.32 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.882 -1.136 . . . . 0.0 110.155 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.417 ' N ' HH22 ' A' ' 7' ' ' ARG . 84.1 p -71.99 -42.1 66.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.185 -0.947 . . . . 0.0 110.243 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.16 -39.06 89.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.118 -0.989 . . . . 0.0 109.439 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.857 ' CZ2' HD11 ' A' ' 158' ' ' LEU . 0.9 OUTLIER -59.73 -44.89 93.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.022 -1.049 . . . . 0.0 108.325 179.334 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 78.7 m -65.28 -33.66 76.51 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.407 -0.808 . . . . 0.0 109.282 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 120' ' ' SER . 74.4 m -57.92 -50.17 74.25 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.289 -0.882 . . . . 0.0 109.69 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 72.7 mt -62.02 -44.13 98.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 O-C-N 121.117 -0.989 . . . . 0.0 109.354 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.497 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 89.3 m-20 -63.97 -39.56 94.4 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.305 -0.872 . . . . 0.0 109.896 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.786 HD23 HG22 ' A' ' 97' ' ' THR . 39.5 tp -62.61 -45.56 92.29 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 109.834 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.579 ' HE1' HD11 ' A' ' 132' ' ' LEU . 25.6 t80 -66.6 -42.83 86.28 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.306 -0.871 . . . . 0.0 109.47 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.1 p -63.75 -34.12 77.18 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.886 . . . . 0.0 109.559 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 126' ' ' ASP . 73.1 m -65.11 -43.94 90.39 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.232 -0.918 . . . . 0.0 109.027 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 95.7 mt -58.52 -44.15 88.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 O-C-N 121.373 -0.829 . . . . 0.0 109.664 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.591 ' O ' ' N ' ' A' ' 136' ' ' LYS . 53.2 mt -62.79 -39.07 93.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.261 -0.899 . . . . 0.0 109.729 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -57.82 -49.34 76.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.314 -0.866 . . . . 0.0 110.411 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.635 HD21 ' OE1' ' A' ' 86' ' ' GLN . 41.1 tp -64.3 -45.74 86.63 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.99 -1.069 . . . . 0.0 110.025 -179.477 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -87.98 -0.65 57.28 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.223 -0.923 . . . . 0.0 110.958 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.591 ' N ' ' O ' ' A' ' 132' ' ' LEU . 2.4 tmtt? -49.24 -39.0 28.63 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.857 -1.152 . . . . 0.0 109.875 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.06 -26.26 67.41 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.158 -0.963 . . . . 0.0 109.785 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -89.01 -5.97 57.54 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.2 -0.937 . . . . 0.0 110.569 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.0 mm -104.67 143.29 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.063 -1.023 . . . . 0.0 109.295 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 30.7 t -78.14 154.3 31.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.292 -0.88 . . . . 0.0 109.192 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.53 -39.38 64.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.802 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.0 m -72.26 -45.34 60.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.856 -1.153 . . . . 0.0 109.466 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 44.3 t -64.06 -44.75 91.46 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.206 -0.934 . . . . 0.0 109.701 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.408 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.6 OUTLIER -63.67 -38.8 92.49 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.047 -1.033 . . . . 0.0 108.498 179.46 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -56.24 -43.33 78.57 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.338 -0.851 . . . . 0.0 109.133 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.0 m -61.21 -44.64 96.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.256 -0.902 . . . . 0.0 109.292 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 46.1 mt -61.63 -38.83 89.13 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.618 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -61.9 -35.62 78.89 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.154 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -61.35 -42.1 98.13 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.263 -0.898 . . . . 0.0 108.874 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -58.4 -42.65 87.61 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 33.0 mm -64.23 -37.95 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 156' ' ' ILE . 30.0 tttt -57.49 -39.21 75.93 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -61.51 -46.96 87.78 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' CYS . . . . . 0.665 ' SG ' ' CZ ' ' A' ' 101' ' ' TYR . 38.1 m -67.14 -49.91 63.13 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -61.8 -32.06 72.32 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 152' ' ' LYS . 1.8 mt -58.25 -37.93 65.7 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -39.47 93.34 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 178.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.857 HD11 ' CZ2' ' A' ' 122' ' ' TRP . 1.8 mm? -59.04 -39.03 80.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.369 -0.832 . . . . 0.0 108.887 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.0 t -61.45 -43.46 98.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.401 -0.812 . . . . 0.0 109.886 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -61.69 -39.12 90.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.064 -1.022 . . . . 0.0 109.494 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.528 HD11 ' CZ3' ' A' ' 113' ' ' TRP . 56.6 mt -61.64 -37.35 83.69 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.033 -1.042 . . . . 0.0 108.791 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.5 80.95 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.399 -0.813 . . . . 0.0 109.051 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -81.42 -12.81 58.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.277 -0.889 . . . . 0.0 109.167 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.33 0.4 70.46 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.73 142.23 27.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.079 -1.248 . . . . 0.0 109.704 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.404 ' CD1' ' CD2' ' A' ' 161' ' ' LEU . 36.3 mm . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.427 -0.796 . . . . 0.0 109.495 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -62.29 -39.05 91.69 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.326 -0.859 . . . . 0.0 109.138 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -60.8 -47.14 87.71 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.32 -0.862 . . . . 0.0 109.503 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 195' ' ' LEU . . . . . 0.445 ' N ' HD12 ' B' ' 195' ' ' LEU . 6.5 mp -67.14 -40.52 86.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.116 -0.99 . . . . 0.0 109.321 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -66.6 -44.62 81.63 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.27 -0.894 . . . . 0.0 109.48 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -65.3 -35.58 81.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.287 -0.883 . . . . 0.0 109.44 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 198' ' ' ARG . . . . . 0.577 ' HD3' HD12 ' A' ' 53' ' ' LEU . 77.6 ttt180 -61.51 -42.79 99.33 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.259 -0.901 . . . . 0.0 109.382 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 199' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 32' ' ' VAL . 8.3 tp -63.97 -42.76 97.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.277 -0.89 . . . . 0.0 109.467 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -60.51 -39.64 88.51 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.241 -0.912 . . . . 0.0 109.315 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.33 -36.26 82.46 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.123 -0.985 . . . . 0.0 108.639 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 202' ' ' LEU . . . . . 0.58 HD22 HG21 ' A' ' 56' ' ' ILE . 14.9 tp -60.7 -38.21 84.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.549 -0.719 . . . . 0.0 109.191 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -87.61 -10.96 49.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.271 -0.893 . . . . 0.0 109.414 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.353 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.301 0.572 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.16 -40.01 84.28 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.144 -0.972 . . . . 0.0 109.116 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -64.48 -34.67 78.75 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.146 -0.971 . . . . 0.0 108.862 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -58.89 -42.38 89.37 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.521 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.48 -39.77 95.32 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.1 93.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.331 -0.855 . . . . 0.0 109.182 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.436 ' CG ' HH11 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.02 -41.5 92.3 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.171 -0.956 . . . . 0.0 108.516 179.386 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.95 -37.4 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.372 -0.83 . . . . 0.0 109.08 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.57 -38.01 76.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.79 -42.51 97.72 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 11' ' ' THR . 7.7 p -69.21 -35.24 76.0 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.017 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.447 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -55.9 -46.06 78.49 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -63.61 -39.19 93.74 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.323 -0.861 . . . . 0.0 108.826 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -60.04 -43.0 95.62 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.37 -0.831 . . . . 0.0 109.744 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -61.87 -41.13 97.48 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.085 -1.009 . . . . 0.0 109.441 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.489 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 21.1 t70 -58.78 -39.15 80.21 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.157 -0.965 . . . . 0.0 108.919 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -60.88 -33.15 72.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.392 -0.818 . . . . 0.0 109.388 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -84.41 -8.49 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.319 -0.863 . . . . 0.0 109.519 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.408 ' C ' HD22 ' A' ' 20' ' ' LEU . . . 89.48 9.52 66.7 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 2.7 mm? -95.64 50.79 1.24 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.326 -1.103 . . . . 0.0 108.655 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.29 -32.76 64.15 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.561 ' CD1' ' N ' ' A' ' 22' ' ' ILE . 1.2 mp -57.88 -48.48 83.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 120.992 -1.299 . . . . 0.0 109.555 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.1 mm -61.9 -42.5 94.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.221 -0.924 . . . . 0.0 108.642 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.563 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -60.76 -38.46 95.25 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.804 ' CE2' HD11 ' A' ' 29' ' ' LEU . 72.4 t80 -63.27 -47.45 82.3 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.082 -1.246 . . . . 0.0 110.764 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.667 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 78.0 t80 -61.26 -45.72 93.34 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.203 -0.936 . . . . 0.0 111.311 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.563 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.8 pp -65.04 -33.67 76.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.601 -1.312 . . . . 0.0 109.73 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.493 ' N ' HD12 ' A' ' 27' ' ' LEU . 93.1 mt-30 -60.22 -40.1 88.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.598 -1.314 . . . . 0.0 107.78 178.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.804 HD11 ' CE2' ' A' ' 25' ' ' TYR . 92.7 mt -61.25 -37.14 82.03 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.589 ' CZ ' ' OD2' ' A' ' 126' ' ' ASP . 85.8 t80 -66.6 -35.85 81.18 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.462 -0.773 . . . . 0.0 109.168 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.9 -45.78 93.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.319 -0.863 . . . . 0.0 110.113 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.472 HG21 HD22 ' B' ' 199' ' ' LEU . 2.0 p -65.44 -42.0 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.907 -1.121 . . . . 0.0 108.823 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.68 -35.38 77.81 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.929 -1.107 . . . . 0.0 108.78 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' A' ' 5' ' ' ALA . 21.7 tp -63.05 -42.77 99.81 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.456 -0.778 . . . . 0.0 109.694 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.5 mt -62.73 -48.2 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 121.211 -0.931 . . . . 0.0 109.905 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.504 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -65.38 -34.93 79.48 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.357 -0.839 . . . . 0.0 109.367 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.0 m -82.42 -0.15 44.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.203 -0.936 . . . . 0.0 109.114 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -90.83 150.08 21.7 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.374 -0.829 . . . . 0.0 109.622 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.91 150.18 17.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.152 -0.967 . . . . 0.0 109.271 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -58.54 133.31 55.72 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.275 -0.89 . . . . 0.0 109.987 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -122.87 170.13 10.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.714 -0.616 . . . . 0.0 109.467 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p -58.32 171.26 0.59 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.28 -0.888 . . . . 0.0 109.556 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -56.29 -27.84 56.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.389 -0.819 . . . . 0.0 110.512 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.56 -40.52 52.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.793 -1.192 . . . . 0.0 109.372 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 56.0 ttp -63.97 -36.88 85.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.019 -1.051 . . . . 0.0 109.222 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.7 p -63.21 -36.43 83.61 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 121.204 -0.935 . . . . 0.0 109.104 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.2 96.36 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.278 -0.889 . . . . 0.0 108.665 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.01 -36.35 83.28 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.364 -0.835 . . . . 0.0 109.065 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.88 98.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.267 -0.895 . . . . 0.0 109.053 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.2 m -61.21 -42.9 99.4 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.225 -0.922 . . . . 0.0 109.125 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.63 -41.2 98.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.276 -0.89 . . . . 0.0 109.059 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.45 -40.55 91.56 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.286 -0.884 . . . . 0.0 109.106 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.77 HD22 HD11 ' B' ' 195' ' ' LEU . 40.1 tp -60.01 -40.62 89.91 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.234 -0.916 . . . . 0.0 108.912 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -59.88 -40.25 88.05 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.9 m -60.49 -40.77 92.52 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.675 -0.64 . . . . 0.0 109.599 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.617 HD12 HD12 ' A' ' 53' ' ' LEU . 83.6 mt -57.19 -53.11 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.182 -0.949 . . . . 0.0 109.05 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.587 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 97.0 mt-10 -63.47 -36.59 84.26 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.48 -33.59 76.04 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' THR . 75.9 t80 -59.65 -54.49 45.76 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.262 -0.899 . . . . 0.0 109.452 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -61.08 -43.88 98.22 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.129 -0.982 . . . . 0.0 109.564 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -83.0 -3.21 56.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.261 -0.9 . . . . 0.0 110.386 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.6 tt0 -50.4 -34.26 23.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.084 -1.01 . . . . 0.0 109.96 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.403 ' C ' ' H ' ' A' ' 65' ' ' GLY . 85.9 mt -68.32 -37.02 77.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.187 -0.945 . . . . 0.0 109.604 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.68 -5.39 11.71 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.403 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 91.23 -4.59 80.85 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.09 -46.6 83.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.057 -1.261 . . . . 0.0 109.658 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.6 m -64.97 -35.04 79.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.278 -0.889 . . . . 0.0 109.014 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.673 ' OE2' HD21 ' A' ' 76' ' ' LEU . 96.9 mt-10 -63.27 -28.83 70.29 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.553 -0.717 . . . . 0.0 109.723 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -39.55 -37.48 0.49 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.338 -0.851 . . . . 0.0 110.031 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -112.39 133.86 54.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.361 -0.837 . . . . 0.0 109.248 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 51.08 47.88 24.07 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.176 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.9 p -58.65 -36.79 74.68 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.176 -0.953 . . . . 0.0 110.112 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -61.04 -44.62 97.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.109 -0.995 . . . . 0.0 109.922 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -67.98 -45.24 74.7 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.35 -0.844 . . . . 0.0 110.534 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.1 m -61.12 -43.99 98.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.07 -1.019 . . . . 0.0 110.147 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.673 HD21 ' OE2' ' A' ' 68' ' ' GLU . 96.7 mt -68.02 -39.35 83.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.266 -0.896 . . . . 0.0 110.111 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.5 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 75.9 t60 -62.76 -45.63 91.81 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.285 -0.884 . . . . 0.0 110.241 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.0 t -69.51 -48.74 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.086 -1.009 . . . . 0.0 110.573 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 96.8 mmm -66.91 -45.66 77.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.225 -0.922 . . . . 0.0 111.031 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.63 ' OD1' ' N ' ' A' ' 81' ' ' THR . 29.7 p-10 -70.54 -41.69 72.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.799 -1.188 . . . . 0.0 111.139 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.63 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 63.2 m -63.21 -47.33 83.01 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.92 -1.113 . . . . 0.0 111.385 -178.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.9 mt -73.6 -34.04 64.88 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.976 -1.077 . . . . 0.0 111.043 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.5 mt -79.66 -42.43 22.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 120.977 -1.077 . . . . 0.0 110.992 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.485 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 76.1 m80 -72.87 -47.88 42.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.022 -1.049 . . . . 0.0 111.087 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.439 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 64.5 t0 -83.93 110.38 18.36 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.904 -1.123 . . . . 0.0 110.222 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -61.94 -36.73 82.27 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.495 -0.753 . . . . 0.0 110.299 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.93 -41.77 88.12 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.162 -0.961 . . . . 0.0 109.887 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.608 ' O ' HD13 ' A' ' 91' ' ' ILE . 30.2 mmtm -61.52 -36.62 81.06 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.85 69.95 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.318 -0.864 . . . . 0.0 109.588 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -58.16 -48.89 78.89 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.233 -0.917 . . . . 0.0 110.887 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.912 HD13 ' H ' ' A' ' 92' ' ' TYR . 0.1 OUTLIER -78.29 -37.5 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.723 -1.235 . . . . 0.0 108.916 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.912 ' H ' HD13 ' A' ' 91' ' ' ILE . 64.6 t80 -60.8 -46.94 88.54 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.667 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 71.7 mtm -66.75 -38.51 86.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.3 -0.875 . . . . 0.0 109.23 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 tp -61.96 -41.01 97.51 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.183 -0.948 . . . . 0.0 109.218 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -64.24 -44.61 91.3 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.502 -0.749 . . . . 0.0 109.986 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.516 ' HE2' HD22 ' A' ' 100' ' ' LEU . 56.0 t80 -64.51 -44.25 91.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.283 -0.885 . . . . 0.0 109.946 -179.435 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.76 HG22 HD23 ' A' ' 127' ' ' LEU . 32.9 p -61.99 -41.42 98.01 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.105 -0.997 . . . . 0.0 109.561 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.3 ttm -64.6 -46.08 84.19 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.231 -0.918 . . . . 0.0 109.258 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.1 p -72.6 -37.27 68.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.326 -0.859 . . . . 0.0 109.717 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.516 HD22 ' HE2' ' A' ' 96' ' ' PHE . 20.8 tp -66.57 -40.84 89.18 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.316 -0.865 . . . . 0.0 109.395 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.715 ' CE2' HD11 ' A' ' 105' ' ' LEU . 86.8 t80 -63.71 -44.81 92.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.465 -0.772 . . . . 0.0 109.871 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -58.91 -41.58 87.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 109.562 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -61.34 -40.53 94.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.3 -0.875 . . . . 0.0 109.486 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.552 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 83.9 mttt -62.48 -40.91 98.19 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.242 -0.911 . . . . 0.0 109.752 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.715 HD11 ' CE2' ' A' ' 101' ' ' TYR . 83.1 mt -58.29 -44.2 88.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.077 -1.014 . . . . 0.0 109.176 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -60.68 -39.01 86.83 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.208 -0.932 . . . . 0.0 109.31 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' A' ' 111' ' ' GLY . 94.7 mt-30 -63.08 -39.18 93.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.364 -0.835 . . . . 0.0 109.764 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.647 HD13 ' CE2' ' A' ' 157' ' ' TYR . 80.2 mt -64.13 -37.5 87.68 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.008 -1.057 . . . . 0.0 109.692 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -77.48 -53.69 7.33 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.2 -0.937 . . . . 0.0 110.817 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -98.74 -22.87 15.66 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.215 -0.928 . . . . 0.0 110.882 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -87.91 154.61 25.79 Favored Glycine 0 N--CA 1.493 2.495 0 C-N-CA 119.485 -1.341 . . . . 0.0 110.224 -178.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.09 154.31 70.61 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.853 2.369 . . . . 0.0 111.903 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.443 ' CZ2' ' O ' ' A' ' 108' ' ' LEU . 19.5 m-90 -96.55 120.75 37.44 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.219 -0.925 . . . . 0.0 109.746 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 39.5 t0 -135.78 165.57 25.3 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.144 -0.972 . . . . 0.0 109.315 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.488 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 4.2 m -62.92 -32.07 54.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.317 -0.865 . . . . 0.0 109.689 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.403 ' N ' HG23 ' A' ' 115' ' ' VAL . 68.6 mtm -59.15 -39.63 83.05 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.33 -0.856 . . . . 0.0 109.436 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.54 -37.96 89.32 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.19 -0.944 . . . . 0.0 109.084 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.638 ' HE2' HD23 ' A' ' 161' ' ' LEU . 73.3 mttt -58.85 -42.99 90.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.293 -0.879 . . . . 0.0 108.869 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -61.53 -39.32 90.62 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.426 -0.796 . . . . 0.0 109.097 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.552 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 21.5 t -62.11 -39.81 93.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.318 -0.864 . . . . 0.0 109.598 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.85 -41.61 98.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.252 -0.905 . . . . 0.0 109.502 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.48 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 77.3 m95 -61.13 -42.42 98.5 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.063 -1.023 . . . . 0.0 109.503 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' CYS . . . . . 0.542 ' SG ' ' N ' ' A' ' 124' ' ' CYS . 0.1 OUTLIER -69.41 -41.79 75.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.175 -0.953 . . . . 0.0 109.669 179.757 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.542 ' N ' ' SG ' ' A' ' 123' ' ' CYS . 0.0 OUTLIER -62.61 -50.07 72.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.263 -0.898 . . . . 0.0 110.067 -179.625 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.659 HG23 HG23 ' A' ' 151' ' ' ILE . 92.8 mt -60.24 -43.53 93.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.16 -0.962 . . . . 0.0 109.627 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASP . . . . . 0.589 ' OD2' ' CZ ' ' A' ' 30' ' ' TYR . 55.0 t0 -62.47 -41.65 98.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.282 -0.886 . . . . 0.0 109.98 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.76 HD23 HG22 ' A' ' 97' ' ' THR . 43.1 tp -63.39 -42.71 98.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -0.892 . . . . 0.0 109.973 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.7 ' CE2' HD11 ' A' ' 132' ' ' LEU . 34.4 t80 -67.13 -43.95 81.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.311 -0.868 . . . . 0.0 109.347 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -68.46 -36.76 79.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.351 -0.843 . . . . 0.0 109.87 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' A' ' 126' ' ' ASP . 93.4 m -60.19 -49.14 78.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -0.874 . . . . 0.0 109.894 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.53 -50.17 81.41 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.071 -1.018 . . . . 0.0 109.741 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.7 HD11 ' CE2' ' A' ' 128' ' ' PHE . 67.3 mt -66.56 -36.64 83.15 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.903 . . . . 0.0 110.116 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -59.61 -49.77 76.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.068 -1.02 . . . . 0.0 109.838 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 36.2 tp -67.01 -42.86 84.26 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.091 -1.006 . . . . 0.0 109.435 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -86.89 4.08 42.86 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.498 -0.752 . . . . 0.0 109.914 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -53.08 -37.9 62.06 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.298 -0.876 . . . . 0.0 109.855 -179.584 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.94 -24.05 67.68 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.137 -0.977 . . . . 0.0 109.471 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -89.41 -6.61 56.42 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.318 -0.864 . . . . 0.0 109.999 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.9 mt -111.71 148.0 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.369 -0.832 . . . . 0.0 109.553 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 31.5 t -76.74 154.37 34.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.266 -0.896 . . . . 0.0 109.451 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -57.61 -39.36 76.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.316 -0.865 . . . . 0.0 110.037 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 53.2 m -70.32 -45.15 66.8 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.673 -1.267 . . . . 0.0 109.409 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 31.8 m -63.62 -44.94 92.44 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.198 -0.939 . . . . 0.0 109.413 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.582 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.6 OUTLIER -65.44 -39.06 91.6 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.201 -0.937 . . . . 0.0 108.607 179.429 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ASN . . . . . 0.4 ' N ' ' CG2' ' A' ' 144' ' ' THR . 36.5 t-20 -55.12 -41.58 71.89 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.318 -0.864 . . . . 0.0 108.881 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.3 m -63.67 -43.24 97.28 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.369 -0.832 . . . . 0.0 109.304 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.22 -44.0 97.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.261 -0.899 . . . . 0.0 108.883 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.594 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -62.49 -34.17 76.32 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.02 -41.6 92.56 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.412 -0.805 . . . . 0.0 108.958 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.2 -41.05 97.99 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ILE . . . . . 0.659 HG23 HG23 ' A' ' 125' ' ' ILE . 83.9 mt -61.41 -38.27 79.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -58.22 -40.85 82.74 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.527 ' HA ' HD12 ' A' ' 156' ' ' ILE . 75.4 t80 -58.51 -43.52 89.17 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' CYS . . . . . 0.66 ' SG ' ' CZ ' ' A' ' 101' ' ' TYR . 23.6 m -63.66 -50.38 69.49 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -61.65 -34.47 75.77 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.498 -0.751 . . . . 0.0 109.193 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 153' ' ' TYR . 13.3 mt -57.74 -47.93 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.308 -0.87 . . . . 0.0 109.804 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.647 ' CE2' HD13 ' A' ' 108' ' ' LEU . 82.5 t80 -62.99 -40.69 98.51 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.191 -1.041 . . . . 0.0 108.191 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.48 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 32.7 tp -59.6 -41.3 90.03 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.553 -0.717 . . . . 0.0 109.218 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.2 m -62.57 -38.05 88.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -0.862 . . . . 0.0 109.365 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -61.22 -40.34 93.64 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.19 -0.944 . . . . 0.0 109.074 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.638 HD23 ' HE2' ' A' ' 118' ' ' LYS . 10.7 mp -65.42 -35.51 81.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.285 -0.885 . . . . 0.0 109.115 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.85 -36.96 82.75 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.295 -0.878 . . . . 0.0 109.071 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -81.44 -12.65 58.84 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.247 -0.908 . . . . 0.0 109.056 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.23 -2.59 71.57 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -94.74 141.5 28.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.195 -1.179 . . . . 0.0 109.738 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 39.7 mm . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.562 -0.711 . . . . 0.0 109.425 179.63 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.43 -40.11 95.51 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.341 -0.849 . . . . 0.0 109.101 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -60.67 -42.72 97.64 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.343 -0.848 . . . . 0.0 109.292 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 195' ' ' LEU . . . . . 0.77 HD11 HD22 ' A' ' 53' ' ' LEU . 39.9 tp -60.35 -40.07 89.39 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.245 -0.909 . . . . 0.0 109.231 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.65 -40.21 96.31 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.872 . . . . 0.0 109.103 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -64.96 -34.99 79.73 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.2 -0.938 . . . . 0.0 108.987 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 198' ' ' ARG . . . . . 0.587 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 67.2 ttt-85 -60.48 -43.1 97.34 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.308 -0.87 . . . . 0.0 108.881 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 199' ' ' LEU . . . . . 0.472 HD22 HG21 ' A' ' 32' ' ' VAL . 1.7 tp -61.41 -41.43 97.14 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.269 -0.894 . . . . 0.0 108.708 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 200' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' B' ' 204' ' ' GLY . 94.1 mtt-85 -58.32 -37.29 74.81 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.339 -0.851 . . . . 0.0 108.756 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.99 82.25 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 202' ' ' LEU . . . . . 0.552 HD22 HG21 ' A' ' 56' ' ' ILE . 11.6 tp -59.06 -40.21 84.46 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 203' ' ' ARG . . . . . 0.491 ' HD3' HD22 ' A' ' 29' ' ' LEU . 72.8 mtm180 -88.16 -7.59 56.66 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.376 -0.827 . . . . 0.0 109.371 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 204' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' B' ' 200' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 117.98 -1.455 . . . . 0.0 109.536 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.8 mtp . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.352 0.596 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.65 ' HB1' ' CE ' ' A' ' 45' ' ' MET . . . -59.79 -37.05 78.02 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.094 -1.004 . . . . 0.0 109.173 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -63.29 -39.89 95.84 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.197 -0.939 . . . . 0.0 109.076 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -58.06 -42.53 85.67 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.861 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.4 -39.25 93.49 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.8 -46.7 84.27 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.275 -0.89 . . . . 0.0 109.491 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.464 ' O ' HG23 ' A' ' 11' ' ' THR . 9.3 tpt180 -60.69 -40.81 93.59 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.069 -1.02 . . . . 0.0 109.064 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.606 ' CG1' HD13 ' A' ' 27' ' ' LEU . 37.6 t -60.97 -38.78 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 121.33 -0.856 . . . . 0.0 108.924 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.38 -38.01 79.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 121.313 -0.867 . . . . 0.0 108.837 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.22 94.92 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.271 -0.972 . . . . 0.0 108.532 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 7' ' ' ARG . 4.3 p -67.54 -35.78 79.73 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.067 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.87 91.62 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.457 -0.777 . . . . 0.0 109.048 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -62.83 -42.08 99.59 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.304 -0.872 . . . . 0.0 108.987 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -61.01 -41.49 96.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.231 -0.918 . . . . 0.0 109.383 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.98 -41.09 99.46 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.351 -0.843 . . . . 0.0 109.521 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -58.65 -39.4 80.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.162 -0.961 . . . . 0.0 108.794 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.27 -30.63 70.58 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.471 -0.768 . . . . 0.0 109.09 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -83.66 -13.7 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.507 -0.746 . . . . 0.0 109.562 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.53 22.53 36.73 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.1 mt -95.66 54.44 1.55 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.251 -1.146 . . . . 0.0 108.906 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.11 -30.17 57.16 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.7 mm -58.45 -50.75 77.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.017 -1.284 . . . . 0.0 109.776 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.1 mm -65.24 -43.6 95.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.199 -0.938 . . . . 0.0 109.125 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.27 -40.83 96.38 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.703 ' CE2' HD11 ' A' ' 29' ' ' LEU . 63.2 t80 -61.72 -48.95 78.41 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.144 -1.209 . . . . 0.0 110.517 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.666 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 74.9 t80 -68.63 -44.48 74.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.911 -1.118 . . . . 0.0 110.809 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.724 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -68.57 -36.55 78.92 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.121 -0.987 . . . . 0.0 110.337 -178.844 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.445 ' O ' HG13 ' A' ' 32' ' ' VAL . 22.1 mm100 -63.24 -41.3 99.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.563 -1.336 . . . . 0.0 109.035 179.076 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.703 HD11 ' CE2' ' A' ' 25' ' ' TYR . 82.5 mt -60.58 -41.49 94.78 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.17 -0.956 . . . . 0.0 108.607 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.518 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 72.7 t80 -65.52 -36.73 84.69 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.34 -0.85 . . . . 0.0 109.416 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.62 87.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.27 -0.894 . . . . 0.0 109.894 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.481 HG21 HD22 ' B' ' 199' ' ' LEU . 0.7 OUTLIER -67.31 -39.75 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.887 -1.133 . . . . 0.0 108.815 179.487 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.419 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 86.4 tt0 -61.27 -35.37 77.11 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.913 -1.117 . . . . 0.0 108.316 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.861 HD23 ' HB2' ' A' ' 5' ' ' ALA . 25.2 tp -64.53 -41.54 96.3 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.483 -0.76 . . . . 0.0 109.502 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.19 -47.68 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.31 -0.869 . . . . 0.0 110.159 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.3 mp -63.24 -36.58 84.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.249 -0.907 . . . . 0.0 109.439 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.9 p -73.35 -21.4 60.55 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.575 ' OE2' ' NE ' ' A' ' 41' ' ' ARG . 84.4 tt0 -74.99 150.89 38.86 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.173 0.511 . . . . 0.0 109.724 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.21 150.2 14.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.345 -0.847 . . . . 0.0 109.252 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -58.49 135.51 57.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.32 -0.862 . . . . 0.0 110.391 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.575 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 68.8 mtt180 -122.67 170.8 9.67 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 57.0 p -57.38 168.76 0.72 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.249 -0.907 . . . . 0.0 109.941 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -56.45 -30.09 62.44 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.532 -0.73 . . . . 0.0 110.785 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -54.04 -40.33 67.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.785 -1.197 . . . . 0.0 109.306 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.65 ' CE ' ' HB1' ' A' ' 2' ' ' ALA . 7.8 tpt -65.33 -39.27 92.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.225 -0.922 . . . . 0.0 108.861 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.1 p -66.53 -34.77 78.65 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.458 -0.776 . . . . 0.0 109.142 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.16 99.02 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.275 -0.89 . . . . 0.0 108.702 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.71 -37.42 87.29 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.403 -0.811 . . . . 0.0 109.163 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.76 -41.72 96.02 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 108.94 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.1 m -62.4 -40.01 95.11 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.309 -0.869 . . . . 0.0 109.351 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.3 -41.82 97.62 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.249 -0.907 . . . . 0.0 109.514 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.23 -39.59 93.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.117 -0.989 . . . . 0.0 109.333 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.638 HD22 HD11 ' B' ' 195' ' ' LEU . 40.4 tp -60.02 -40.98 91.17 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.194 -0.941 . . . . 0.0 109.009 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -61.75 -39.22 90.81 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.387 -0.821 . . . . 0.0 108.988 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.0 m -60.11 -41.65 93.03 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.585 -0.697 . . . . 0.0 109.924 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.1 mt -59.02 -52.93 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.16 -0.963 . . . . 0.0 109.269 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.418 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.8 mt-10 -63.77 -36.85 85.24 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.91 -33.38 74.59 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.542 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.62 -52.99 63.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.309 -0.87 . . . . 0.0 108.804 179.661 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.647 ' NZ ' HG21 ' A' ' 83' ' ' ILE . 27.3 mttt -58.66 -40.01 82.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.065 -1.022 . . . . 0.0 108.836 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -82.67 -1.45 51.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.473 -0.767 . . . . 0.0 110.156 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.1 tt0 -48.4 -35.18 12.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.107 -0.995 . . . . 0.0 110.126 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.717 HD12 ' SD ' ' A' ' 79' ' ' MET . 77.4 mt -68.56 -36.11 73.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 120.942 -1.099 . . . . 0.0 109.744 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.81 -5.41 24.36 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.63 -2.06 79.73 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -65.46 -46.72 78.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.112 -1.228 . . . . 0.0 108.654 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.1 t -68.03 -31.43 71.1 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.512 0.672 . . . . 0.0 109.213 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' ALA . 97.0 mt-10 -61.61 -29.05 69.79 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.588 -0.695 . . . . 0.0 109.94 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -44.84 -38.23 4.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.964 -1.085 . . . . 0.0 109.545 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -111.61 135.31 52.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.349 -0.844 . . . . 0.0 109.07 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 51.62 48.33 23.08 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.088 -1.007 . . . . 0.0 108.943 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.7 p -57.54 -33.93 68.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.223 -0.923 . . . . 0.0 110.133 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.44 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 90.4 m-20 -62.18 -43.98 97.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.161 -0.962 . . . . 0.0 109.933 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -66.01 -40.63 91.28 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.212 -0.93 . . . . 0.0 110.19 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.4 m -60.7 -45.6 93.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.112 -0.992 . . . . 0.0 109.99 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.88 -36.39 80.17 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.24 -0.912 . . . . 0.0 109.513 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.44 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 64.1 m170 -58.88 -45.22 90.72 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.369 -0.832 . . . . 0.0 110.004 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 64.6 t -66.59 -48.98 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.15 -0.969 . . . . 0.0 109.91 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.717 ' SD ' HD12 ' A' ' 63' ' ' ILE . 70.8 mtm -67.27 -46.2 74.36 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.982 -1.074 . . . . 0.0 110.248 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.431 ' C ' ' HD1' ' A' ' 84' ' ' HIS . 42.1 m-20 -69.36 -42.12 75.64 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 120.992 -1.067 . . . . 0.0 110.988 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 54.1 m -69.18 -49.25 58.31 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.081 -1.012 . . . . 0.0 111.891 -178.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.6 mt -72.59 -33.91 67.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.979 -1.076 . . . . 0.0 111.379 -178.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.647 HG21 ' NZ ' ' A' ' 60' ' ' LYS . 78.8 mt -79.24 -37.0 18.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 120.991 -1.068 . . . . 0.0 111.346 -178.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.431 ' HD1' ' C ' ' A' ' 80' ' ' ASN . 77.2 m80 -87.78 -27.96 21.98 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.89 -1.131 . . . . 0.0 111.419 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -83.07 100.21 10.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.661 -1.274 . . . . 0.0 109.903 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -62.49 -41.31 98.73 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.465 -0.772 . . . . 0.0 110.811 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.47 -43.7 98.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.097 -1.002 . . . . 0.0 109.792 -179.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -61.9 -31.57 71.88 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.79 -44.26 90.51 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.42 -0.8 . . . . 0.0 110.056 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -65.17 -49.11 71.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.007 -1.058 . . . . 0.0 111.22 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 1.084 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -65.08 -38.26 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.618 -1.301 . . . . 0.0 109.014 -178.707 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 1.084 ' N ' HD13 ' A' ' 91' ' ' ILE . 44.4 t80 -61.29 -45.47 94.35 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.666 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 70.1 mtm -70.3 -41.72 72.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.361 -0.837 . . . . 0.0 109.773 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.68 -40.02 90.61 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.144 -0.973 . . . . 0.0 109.373 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -63.65 -47.06 82.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.265 -0.897 . . . . 0.0 110.158 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -67.01 -40.94 87.4 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.183 -0.948 . . . . 0.0 110.041 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -61.89 -45.04 95.46 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.001 -1.062 . . . . 0.0 109.448 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 91.0 mtp -65.81 -41.69 91.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.101 -0.999 . . . . 0.0 109.421 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.6 p -69.55 -34.31 74.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.369 -0.832 . . . . 0.0 109.512 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.9 tp -64.58 -42.63 95.48 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.151 -0.968 . . . . 0.0 109.58 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.656 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 83.1 t80 -64.97 -43.99 90.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.268 -0.895 . . . . 0.0 110.068 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -58.97 -44.7 91.58 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.225 -0.922 . . . . 0.0 109.91 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.33 -45.97 82.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.17 -0.956 . . . . 0.0 109.382 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -64.65 -36.81 85.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.24 -0.912 . . . . 0.0 109.188 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.4 tp -55.6 -48.89 74.13 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.379 -0.826 . . . . 0.0 109.042 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -61.4 -37.73 84.5 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.157 -0.964 . . . . 0.0 109.321 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.8 mt-30 -60.39 -39.89 88.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.224 -0.922 . . . . 0.0 109.653 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.619 HD13 ' CE2' ' A' ' 157' ' ' TYR . 72.0 mt -65.76 -38.38 88.94 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.953 -1.092 . . . . 0.0 109.167 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -77.59 -52.93 8.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.442 -0.787 . . . . 0.0 110.388 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -84.06 -22.92 31.07 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.383 -0.823 . . . . 0.0 110.461 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -104.82 155.78 17.12 Favored Glycine 0 N--CA 1.493 2.483 0 C-N-CA 119.909 -1.139 . . . . 0.0 110.315 -179.105 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -66.47 154.48 74.16 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.89 2.393 . . . . 0.0 111.895 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.725 ' HE1' ' HH ' ' A' ' 157' ' ' TYR . 18.4 m-90 -91.06 126.42 36.14 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.182 -0.949 . . . . 0.0 109.84 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.402 ' H ' HD12 ' A' ' 117' ' ' LEU . 86.4 m-20 -134.05 164.28 27.67 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.424 -0.797 . . . . 0.0 108.947 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -62.76 -32.61 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.125 -0.985 . . . . 0.0 109.207 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.432 ' HA ' ' HE ' ' A' ' 119' ' ' ARG . 69.7 mtm -60.09 -40.58 90.08 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 109.348 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.402 HD12 ' H ' ' A' ' 114' ' ' ASP . 82.3 mt -63.96 -38.47 91.2 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.303 -0.873 . . . . 0.0 109.426 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -60.27 -40.94 92.13 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.211 -0.931 . . . . 0.0 109.038 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.432 ' HE ' ' HA ' ' A' ' 116' ' ' MET . 79.7 mtm180 -62.19 -39.34 92.38 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.545 -0.722 . . . . 0.0 109.384 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 85.7 p -64.28 -36.98 85.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.375 -0.828 . . . . 0.0 109.921 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.11 -40.45 90.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.152 -0.968 . . . . 0.0 109.538 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' TRP . . . . . 0.553 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 80.5 m95 -61.81 -40.48 95.39 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.152 -0.967 . . . . 0.0 109.294 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.3 m -64.83 -42.13 95.19 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.275 -0.891 . . . . 0.0 109.589 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.5 m -60.94 -48.23 82.76 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.176 -0.953 . . . . 0.0 109.617 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.22 -36.64 69.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.028 -1.045 . . . . 0.0 108.816 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -59.97 -39.2 84.84 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.253 -0.904 . . . . 0.0 108.929 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.83 -43.63 98.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.263 -0.898 . . . . 0.0 109.287 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -67.02 -43.14 83.61 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -0.905 . . . . 0.0 109.987 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.0 m -65.7 -38.11 88.32 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.186 -0.946 . . . . 0.0 110.499 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.518 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 71.4 m -68.09 -49.66 59.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 0.0 110.7 -178.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 16.3 pt -74.03 -38.18 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 120.93 -1.106 . . . . 0.0 110.152 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.862 HD13 HD23 ' A' ' 147' ' ' LEU . 51.3 tp -60.26 -41.37 93.11 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.251 -0.906 . . . . 0.0 109.565 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -69.43 -49.3 56.39 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.312 -0.868 . . . . 0.0 110.714 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 43.7 tp -63.39 -46.84 84.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.053 -1.029 . . . . 0.0 110.825 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 7.1 m-90 -87.87 5.36 40.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.075 -1.015 . . . . 0.0 110.458 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.59 -43.17 35.74 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.045 -1.034 . . . . 0.0 109.706 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -69.27 -21.33 63.9 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.244 -0.91 . . . . 0.0 109.362 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -89.39 -5.2 57.64 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.365 -0.834 . . . . 0.0 110.527 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.7 mt -112.3 146.79 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.318 -0.864 . . . . 0.0 109.764 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.7 m -77.1 154.91 32.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.449 -0.782 . . . . 0.0 109.336 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.34 -40.79 83.1 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.156 -0.965 . . . . 0.0 109.878 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 26.0 m -72.1 -42.79 65.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.818 -1.176 . . . . 0.0 109.298 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.2 m -59.23 -40.11 84.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.201 -0.937 . . . . 0.0 108.605 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.495 ' O ' ' OE1' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -66.13 -38.3 87.81 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.883 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -54.13 -45.39 71.93 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.393 -0.817 . . . . 0.0 109.543 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.3 m -64.35 -46.49 83.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.082 -1.011 . . . . 0.0 109.444 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.862 HD23 HD13 ' A' ' 132' ' ' LEU . 60.0 tp -64.91 -39.67 93.88 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.282 -0.886 . . . . 0.0 109.668 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' GLN . . . . . 0.789 ' NE2' HD21 ' A' ' 132' ' ' LEU . 0.3 OUTLIER -62.47 -38.62 90.52 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.241 -0.912 . . . . 0.0 109.31 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -64.06 -38.16 90.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.188 -0.945 . . . . 0.0 109.545 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -60.92 -41.26 95.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.158 -0.964 . . . . 0.0 109.006 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 84.3 mt -61.59 -40.97 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.465 -0.772 . . . . 0.0 109.037 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -58.87 -40.84 85.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.392 -0.818 . . . . 0.0 108.939 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' TYR . . . . . 0.433 ' HA ' HD12 ' A' ' 156' ' ' ILE . 65.7 t80 -59.05 -44.02 91.74 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.0 109.084 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' CYS . . . . . 0.656 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 78.7 m -63.9 -50.32 69.2 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.365 -0.834 . . . . 0.0 108.816 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -61.86 -34.93 76.89 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.469 -0.769 . . . . 0.0 109.199 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 153' ' ' TYR . 11.7 mt -58.08 -48.02 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.223 -0.923 . . . . 0.0 109.974 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.829 ' CE1' HD11 ' A' ' 166' ' ' ILE . 51.1 t80 -63.15 -41.07 99.2 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.553 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 32.7 tp -62.75 -42.67 99.79 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.757 -0.59 . . . . 0.0 109.761 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 20.8 m -64.46 -45.92 85.35 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.194 -0.941 . . . . 0.0 109.848 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -61.83 -42.81 99.49 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.159 -0.963 . . . . 0.0 109.04 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 27.7 tp -66.75 -35.17 79.48 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.342 -0.849 . . . . 0.0 109.035 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.86 -35.09 75.69 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.438 -0.789 . . . . 0.0 109.536 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -81.23 -8.49 59.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.195 -0.94 . . . . 0.0 108.921 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.79 -5.68 76.59 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -96.17 103.33 15.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.169 -1.195 . . . . 0.0 109.332 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' ILE . . . . . 0.829 HD11 ' CE1' ' A' ' 157' ' ' TYR . 7.0 tp . . . . . 0 C--N 1.304 -1.408 0 O-C-N 121.07 -1.019 . . . . 0.0 109.826 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.81 -39.52 92.05 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.362 -0.836 . . . . 0.0 108.962 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -60.53 -44.24 96.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.0 109.309 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 195' ' ' LEU . . . . . 0.638 HD11 HD22 ' A' ' 53' ' ' LEU . 25.6 tp -60.83 -39.58 89.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.249 -0.907 . . . . 0.0 109.153 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.43 96.74 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.341 -0.849 . . . . 0.0 109.602 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -64.7 -36.04 83.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.11 -0.994 . . . . 0.0 109.364 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 198' ' ' ARG . . . . . 0.418 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 76.9 ttt180 -61.39 -42.95 99.54 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.179 -0.95 . . . . 0.0 108.906 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 199' ' ' LEU . . . . . 0.481 HD22 HG21 ' A' ' 32' ' ' VAL . 1.5 tp -63.44 -41.73 98.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.404 -0.81 . . . . 0.0 109.476 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 200' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' B' ' 204' ' ' GLY . 98.3 mtt180 -57.79 -36.54 72.32 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.269 -0.895 . . . . 0.0 109.116 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.21 88.07 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.117 -0.99 . . . . 0.0 108.432 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 7.1 tp -65.61 -38.0 88.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.387 -0.821 . . . . 0.0 108.9 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -87.53 -7.32 57.72 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.443 -0.785 . . . . 0.0 109.364 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 204' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' B' ' 200' ' ' ARG . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.0 mtm . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.837 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -59.18 -40.48 85.81 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.248 -0.908 . . . . 0.0 109.109 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -64.35 -34.85 79.11 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.143 -0.973 . . . . 0.0 108.987 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -58.96 -41.95 88.71 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.635 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.96 -39.53 94.35 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.75 -45.72 89.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.333 -0.855 . . . . 0.0 109.359 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -60.64 -39.13 87.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.161 -0.962 . . . . 0.0 109.011 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.574 ' CG1' HD13 ' A' ' 27' ' ' LEU . 47.4 t -61.77 -39.89 84.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.319 -0.863 . . . . 0.0 109.453 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.2 t -60.87 -41.84 90.29 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 O-C-N 121.13 -0.981 . . . . 0.0 108.485 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.56 -45.16 80.23 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.334 -0.854 . . . . 0.0 108.949 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.52 -34.4 77.83 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.332 -0.855 . . . . 0.0 108.694 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.96 93.48 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.152 -0.968 . . . . 0.0 108.815 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -62.29 -39.7 93.82 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.404 -0.81 . . . . 0.0 109.025 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -59.07 -43.32 91.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.222 -0.923 . . . . 0.0 109.515 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -63.48 -39.89 95.66 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.286 -0.884 . . . . 0.0 109.482 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -58.57 -38.62 78.28 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.076 -1.015 . . . . 0.0 108.672 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.55 -31.36 71.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.463 -0.773 . . . . 0.0 109.111 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -83.78 -14.77 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.433 -0.792 . . . . 0.0 109.755 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.82 24.29 33.12 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.9 mt -95.55 54.93 1.63 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.227 -1.161 . . . . 0.0 109.385 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.96 -28.34 48.04 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.42 ' N ' HD13 ' A' ' 22' ' ' ILE . 9.7 mm -58.52 -52.24 61.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.105 -1.232 . . . . 0.0 109.685 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.2 mm -64.1 -35.84 75.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.7 -47.08 92.18 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.812 ' CE2' HD11 ' A' ' 29' ' ' LEU . 65.9 t80 -61.55 -48.44 81.0 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.034 -1.274 . . . . 0.0 110.181 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.669 ' CD2' ' SD ' ' A' ' 93' ' ' MET . 65.1 t80 -64.73 -45.41 86.64 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.241 -0.912 . . . . 0.0 110.899 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.739 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -66.76 -36.4 82.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.954 -1.091 . . . . 0.0 110.141 -178.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -61.71 -39.79 92.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.72 -1.238 . . . . 0.0 108.769 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.812 HD11 ' CE2' ' A' ' 25' ' ' TYR . 93.5 mt -61.02 -39.06 88.33 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -65.82 -36.21 82.85 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.209 -0.932 . . . . 0.0 109.32 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.8 92.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.362 -0.836 . . . . 0.0 110.338 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.699 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -65.72 -41.77 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.793 -1.192 . . . . 0.0 109.038 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.68 -35.61 78.48 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.943 -1.098 . . . . 0.0 108.946 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.635 HD23 ' HB2' ' A' ' 5' ' ' ALA . 35.2 tp -64.7 -43.13 94.49 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 110.069 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.56 -48.18 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.066 -1.021 . . . . 0.0 110.064 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.491 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -64.53 -35.25 80.36 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.353 -0.842 . . . . 0.0 109.327 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.9 m -83.54 -0.12 48.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.234 -0.916 . . . . 0.0 109.211 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.837 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 84.7 tt0 -89.99 149.92 22.35 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.341 -0.849 . . . . 0.0 109.787 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -57.06 151.0 15.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.381 -0.824 . . . . 0.0 109.566 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -58.73 131.94 52.38 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.403 -0.81 . . . . 0.0 109.9 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.577 ' NH1' ' CB ' ' A' ' 2' ' ' ALA . 68.5 mtp180 -122.07 170.02 10.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.611 -0.68 . . . . 0.0 109.628 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.7 m -58.11 170.02 0.73 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.385 -0.822 . . . . 0.0 109.847 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.13 -28.0 56.23 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.486 -0.759 . . . . 0.0 110.552 -178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.29 -40.39 48.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.782 -1.199 . . . . 0.0 109.294 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.577 ' O ' ' SD ' ' A' ' 45' ' ' MET . 7.0 tmm? -63.36 -38.22 90.31 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.227 -0.921 . . . . 0.0 109.068 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.1 p -62.07 -36.41 81.57 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.24 -0.912 . . . . 0.0 109.133 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.47 ' O ' ' OG1' ' A' ' 50' ' ' THR . . . -63.96 -43.12 96.75 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.179 -0.951 . . . . 0.0 108.734 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.13 -35.56 81.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.328 -0.858 . . . . 0.0 109.061 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.9 -38.25 90.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.301 -0.875 . . . . 0.0 109.321 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 47' ' ' ALA . 70.0 p -65.39 -43.24 91.31 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.338 -0.851 . . . . 0.0 109.339 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.75 -40.2 91.58 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.64 -39.23 87.51 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.309 -0.869 . . . . 0.0 108.793 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.693 HD22 HD11 ' B' ' 195' ' ' LEU . 36.1 tp -59.8 -40.93 90.02 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.311 -0.868 . . . . 0.0 108.733 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -59.95 -39.39 85.42 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' PHE . 47.2 m -60.25 -39.93 88.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.696 -0.627 . . . . 0.0 109.566 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.651 HG21 HD22 ' B' ' 202' ' ' LEU . 31.6 mm -59.83 -55.16 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.119 -0.988 . . . . 0.0 109.233 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -63.43 -38.08 89.77 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.588 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.03 -31.98 71.16 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 55' ' ' THR . 82.3 t80 -59.22 -54.37 47.68 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.299 -0.875 . . . . 0.0 109.55 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.406 ' NZ ' HD11 ' B' ' 202' ' ' LEU . 48.5 mttp -62.33 -41.7 98.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.034 -1.041 . . . . 0.0 109.33 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -82.73 -3.07 55.98 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.318 -0.864 . . . . 0.0 110.071 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.72 -35.33 21.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.205 -0.934 . . . . 0.0 109.821 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.406 HG22 ' H ' ' A' ' 65' ' ' GLY . 85.1 mt -68.66 -37.55 77.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.152 -0.968 . . . . 0.0 109.796 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.84 -5.36 12.62 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.406 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 91.82 -5.52 79.41 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.64 -46.6 81.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.126 -1.22 . . . . 0.0 109.765 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -64.62 -34.77 79.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.207 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 69' ' ' ALA . 97.1 mt-10 -62.45 -28.65 69.95 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.451 -0.781 . . . . 0.0 109.904 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -39.26 -37.33 0.41 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.389 -0.82 . . . . 0.0 109.882 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -112.08 132.57 54.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.402 -0.811 . . . . 0.0 109.155 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 50.94 48.61 22.71 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.127 -0.983 . . . . 0.0 108.998 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 p -57.31 -36.54 71.23 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.251 -0.906 . . . . 0.0 110.127 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.583 ' O ' ' ND1' ' A' ' 77' ' ' HIS . 90.3 m-20 -62.11 -43.76 98.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.1 -1.0 . . . . 0.0 109.887 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -63.79 -41.66 97.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.327 -0.858 . . . . 0.0 109.95 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.5 t -59.51 -42.74 92.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.957 . . . . 0.0 110.115 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 76' ' ' LEU . 86.3 mt -65.12 -40.32 94.33 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.15 -0.969 . . . . 0.0 109.824 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.583 ' ND1' ' O ' ' A' ' 73' ' ' ASP . 61.9 m80 -62.59 -45.64 91.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.165 -0.959 . . . . 0.0 110.198 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.06 -49.81 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.158 -0.964 . . . . 0.0 110.11 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.422 ' HE2' ' HB3' ' A' ' 79' ' ' MET . 96.9 mmm -68.3 -46.66 69.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.245 -0.909 . . . . 0.0 110.81 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.591 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 57.3 t-20 -68.98 -45.56 70.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.016 -1.053 . . . . 0.0 111.631 -178.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 54.0 m -63.92 -47.7 79.48 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.091 -1.006 . . . . 0.0 111.963 -178.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.597 HD23 ' CG ' ' A' ' 88' ' ' LYS . 19.9 mt -72.72 -34.07 66.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.949 -1.094 . . . . 0.0 111.563 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 90.1 mt -79.32 -42.26 23.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 120.912 -1.117 . . . . 0.0 111.361 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.591 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 63.6 m80 -75.92 -42.48 48.76 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.053 -1.03 . . . . 0.0 111.367 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -81.63 107.4 14.36 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.801 -1.187 . . . . 0.0 110.019 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 87' ' ' GLU . 12.4 pt20 -62.34 -40.53 96.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.419 -0.801 . . . . 0.0 109.938 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 86' ' ' GLN . 97.6 mt-10 -61.39 -40.96 96.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.198 -0.938 . . . . 0.0 109.392 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.597 ' CG ' HD23 ' A' ' 82' ' ' LEU . 17.3 tptm -61.88 -33.01 73.42 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.82 -44.41 81.21 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.153 -0.967 . . . . 0.0 110.086 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -63.46 -49.1 74.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.118 -0.989 . . . . 0.0 111.26 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.105 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -60.58 -38.24 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.75 -1.219 . . . . 0.0 108.822 -178.803 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 1.105 ' N ' HD13 ' A' ' 91' ' ' ILE . 55.5 t80 -62.2 -40.25 95.46 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.669 ' SD ' ' CD2' ' A' ' 26' ' ' TYR . 87.9 mtp -67.1 -42.41 84.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.493 -0.754 . . . . 0.0 110.036 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 98' ' ' MET . 90.9 mt -60.99 -37.5 82.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.903 -1.123 . . . . 0.0 109.147 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -64.85 -49.46 70.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.162 -0.961 . . . . 0.0 109.981 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -80.04 -49.59 11.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.329 -0.857 . . . . 0.0 109.484 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.601 HG22 ' CZ ' ' A' ' 128' ' ' PHE . 15.0 m -55.85 -43.42 77.03 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.399 -0.813 . . . . 0.0 109.587 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.443 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 51.5 ttm -67.54 -46.3 73.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.002 -1.062 . . . . 0.0 109.42 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.1 p -66.2 -35.06 79.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.388 -0.82 . . . . 0.0 109.499 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.2 tp -63.8 -40.44 96.64 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.337 -0.852 . . . . 0.0 109.608 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.663 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 75.8 t80 -65.93 -48.34 71.73 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.311 -0.868 . . . . 0.0 110.343 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -62.0 -46.7 88.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.1 -1.0 . . . . 0.0 109.866 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.12 -36.28 83.51 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.238 -0.914 . . . . 0.0 109.129 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.532 ' CE ' ' OG ' ' A' ' 120' ' ' SER . 56.1 tttm -61.87 -41.69 98.16 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.329 -0.857 . . . . 0.0 109.326 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.602 HD11 ' CE2' ' A' ' 101' ' ' TYR . 92.7 mt -59.01 -43.46 91.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.121 -0.987 . . . . 0.0 108.686 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -60.36 -37.9 82.14 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.295 -0.878 . . . . 0.0 109.066 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.7 mt-30 -63.05 -39.71 95.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.377 -0.827 . . . . 0.0 109.577 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.924 HD13 ' CE2' ' A' ' 157' ' ' TYR . 67.6 mt -64.68 -37.91 89.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.116 -0.99 . . . . 0.0 109.028 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -78.11 -52.97 7.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.566 -0.709 . . . . 0.0 110.403 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -83.67 -22.97 31.94 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.462 -0.774 . . . . 0.0 110.439 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.594 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.46 155.25 17.95 Favored Glycine 0 N--CA 1.493 2.485 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.266 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.09 154.23 70.72 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.921 2.414 . . . . 0.0 112.01 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.589 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 11.7 m-90 -91.17 123.74 34.85 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.202 -0.937 . . . . 0.0 109.454 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 47.9 t0 -135.64 169.62 17.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.343 -0.848 . . . . 0.0 109.424 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.422 ' H ' HG13 ' A' ' 115' ' ' VAL . 3.2 m -61.01 -32.45 52.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.293 -0.879 . . . . 0.0 109.368 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.402 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.4 mtm -59.56 -36.71 76.72 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.272 -0.893 . . . . 0.0 109.218 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.9 mm? -64.16 -38.74 92.16 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.218 -0.926 . . . . 0.0 109.067 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.492 ' HE3' HD12 ' A' ' 161' ' ' LEU . 18.7 mttt -59.99 -43.41 95.16 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.338 -0.851 . . . . 0.0 109.23 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -61.92 -39.14 90.99 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.448 -0.783 . . . . 0.0 109.308 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.532 ' OG ' ' CE ' ' A' ' 104' ' ' LYS . 94.4 p -66.11 -35.51 80.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.394 -0.816 . . . . 0.0 109.754 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.495 HD21 ' HZ2' ' A' ' 104' ' ' LYS . 95.0 mt -63.96 -41.27 97.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 109.354 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.765 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 90.5 m95 -63.51 -41.37 98.53 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.147 -0.971 . . . . 0.0 109.188 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.7 m -67.68 -43.41 80.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.857 . . . . 0.0 109.893 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 88.6 m -57.25 -48.26 79.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.094 -1.004 . . . . 0.0 109.643 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.28 -37.88 75.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.21 -0.931 . . . . 0.0 109.09 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.24 -39.65 87.47 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.368 -0.833 . . . . 0.0 109.38 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.84 -44.41 96.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.214 -0.929 . . . . 0.0 109.694 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.601 ' CZ ' HG22 ' A' ' 97' ' ' THR . 76.7 m-85 -71.68 -42.43 67.46 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.256 -0.903 . . . . 0.0 109.829 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.9 p -65.7 -34.3 77.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.238 -0.914 . . . . 0.0 109.879 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.447 ' SG ' ' OH ' ' A' ' 26' ' ' TYR . 1.6 t -68.77 -49.8 55.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.113 -0.992 . . . . 0.0 109.869 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 83.9 mt -63.47 -50.09 79.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 121.232 -0.918 . . . . 0.0 109.913 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.793 HD13 HD23 ' A' ' 147' ' ' LEU . 55.7 tp -62.23 -41.11 98.12 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.358 -0.839 . . . . 0.0 110.258 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -60.42 -49.52 77.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.185 -0.947 . . . . 0.0 110.456 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.8 tp -67.79 -44.05 78.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.061 -1.024 . . . . 0.0 110.135 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -87.07 3.45 46.07 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.268 -0.895 . . . . 0.0 110.598 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.635 ' HZ3' ' CB ' ' A' ' 144' ' ' THR . 11.7 tptt -51.3 -38.29 52.06 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.057 -1.027 . . . . 0.0 109.999 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -64.65 -24.32 67.54 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 109.525 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -91.61 -3.2 56.66 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.266 -0.896 . . . . 0.0 110.571 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.2 mm -103.87 144.61 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.952 -1.092 . . . . 0.0 109.466 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 48.8 m -77.18 155.12 32.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.334 -0.853 . . . . 0.0 108.962 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.37 -41.92 81.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.055 -1.028 . . . . 0.0 109.84 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 27.1 m -71.78 -42.87 66.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.961 -1.087 . . . . 0.0 109.263 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 29.2 t -58.85 -38.91 79.79 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.148 -0.97 . . . . 0.0 108.477 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.635 ' CB ' ' HZ3' ' A' ' 136' ' ' LYS . 0.4 OUTLIER -64.74 -38.43 90.96 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.863 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -55.97 -45.55 78.88 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.508 -0.745 . . . . 0.0 109.726 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.5 m -63.22 -46.34 87.43 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.112 -0.992 . . . . 0.0 109.537 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.793 HD23 HD13 ' A' ' 132' ' ' LEU . 58.9 tp -65.16 -40.84 94.9 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.31 -0.869 . . . . 0.0 109.528 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.74 HE22 HD21 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -61.61 -38.3 87.08 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.238 -0.914 . . . . 0.0 109.388 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -62.37 -39.51 93.42 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.977 -1.077 . . . . 0.0 108.873 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -59.52 -39.72 84.82 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.25 -0.906 . . . . 0.0 108.816 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 33.4 mm -61.78 -40.22 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.328 -0.858 . . . . 0.0 108.922 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 156' ' ' ILE . 22.4 tttt -57.96 -42.1 84.3 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.379 -0.825 . . . . 0.0 108.829 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.504 ' HA ' HD12 ' A' ' 156' ' ' ILE . 70.7 t80 -59.57 -44.85 93.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -0.882 . . . . 0.0 108.928 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' CYS . . . . . 0.663 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 36.6 m -65.36 -48.58 72.45 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.09 -33.98 75.44 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 153' ' ' TYR . 7.7 mt -57.78 -47.61 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 O-C-N 121.269 -0.894 . . . . 0.0 109.517 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.924 ' CE2' HD13 ' A' ' 108' ' ' LEU . 67.8 t80 -62.86 -39.56 94.79 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.765 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 41.2 tp -61.71 -42.28 98.73 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.627 -0.671 . . . . 0.0 109.769 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 86.2 p -66.46 -39.73 89.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.223 -0.923 . . . . 0.0 109.978 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.85 -38.65 89.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.133 -0.979 . . . . 0.0 109.226 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.492 HD12 ' HE3' ' A' ' 118' ' ' LYS . 3.4 mm? -66.5 -35.64 80.75 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.285 -0.884 . . . . 0.0 108.987 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.02 86.84 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.324 -0.86 . . . . 0.0 109.258 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -81.93 -12.34 58.45 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.293 -0.879 . . . . 0.0 109.382 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 89.02 -1.07 82.75 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -95.05 150.19 20.44 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.232 -1.158 . . . . 0.0 109.728 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 167' ' ' GLY . 37.8 mm -116.66 136.96 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.493 -0.754 . . . . 0.0 109.456 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 166' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 118.021 -1.433 . . . . 0.0 109.54 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.46 113.25 64.46 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.32 -0.862 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -51.15 -23.95 13.88 Favored 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 121.967 1.778 . . . . 0.0 112.065 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.76 143.57 41.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.0 109.5 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 70.7 mt -115.33 133.52 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.469 -0.769 . . . . 0.0 109.457 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -88.21 145.91 25.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.236 -0.915 . . . . 0.0 109.367 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -63.04 141.51 58.73 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.162 -0.961 . . . . 0.0 109.525 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -59.54 -33.28 71.19 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.299 -0.876 . . . . 0.0 109.532 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -101.3 160.71 14.18 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.305 -0.872 . . . . 0.0 109.603 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 185' ' ' VAL . . . . . 0.805 HG13 ' H ' ' B' ' 188' ' ' ASP . 9.0 p -128.16 146.85 33.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.508 -0.745 . . . . 0.0 109.571 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -54.26 -36.83 64.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.458 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 187' ' ' VAL . . . . . 0.518 ' H ' HG22 ' B' ' 185' ' ' VAL . 67.2 t -61.11 -45.89 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.985 -1.072 . . . . 0.0 109.731 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.805 ' H ' HG13 ' B' ' 185' ' ' VAL . 59.4 t0 -63.82 -35.24 79.95 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.818 -1.176 . . . . 0.0 109.375 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -58.72 -45.66 89.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.389 -0.819 . . . . 0.0 110.593 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 190' ' ' GLU . . . . . 0.414 ' H ' ' HG2' ' B' ' 190' ' ' GLU . 12.8 pt-20 -69.16 -44.46 72.21 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.143 -0.973 . . . . 0.0 110.386 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -58.25 -42.58 86.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.762 -1.211 . . . . 0.0 109.479 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.3 -36.39 83.93 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.27 -0.894 . . . . 0.0 109.26 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.71 -41.45 95.29 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.336 -0.853 . . . . 0.0 109.093 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 39.9 tttp -62.02 -44.51 96.56 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.331 -0.856 . . . . 0.0 109.124 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 195' ' ' LEU . . . . . 0.693 HD11 HD22 ' A' ' 53' ' ' LEU . 11.6 tp -61.43 -41.46 97.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.285 -0.885 . . . . 0.0 108.961 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.1 -35.96 82.8 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.395 -0.815 . . . . 0.0 109.39 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -64.72 -36.33 83.93 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.133 -0.979 . . . . 0.0 109.419 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -65.22 -43.48 91.34 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.096 -1.003 . . . . 0.0 109.243 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 199' ' ' LEU . . . . . 0.699 HD22 HG21 ' A' ' 32' ' ' VAL . 5.9 tp -63.37 -47.32 82.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.189 -0.944 . . . . 0.0 109.511 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -60.5 -37.76 82.14 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.175 -0.953 . . . . 0.0 109.022 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.01 79.48 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 202' ' ' LEU . . . . . 0.651 HD22 HG21 ' A' ' 56' ' ' ILE . 18.8 tp -60.36 -38.56 84.25 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 203' ' ' ARG . . . . . 0.594 ' NE ' HD22 ' A' ' 29' ' ' LEU . 95.5 mtt180 -87.39 -10.61 51.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.333 -0.854 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 CA-C-O 117.993 -1.448 . . . . 0.0 109.566 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.41 ' H2 ' ' HB2' ' A' ' 4' ' ' ASN . 64.7 mtt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.59 ' HB1' ' CE ' ' A' ' 45' ' ' MET . . . -59.3 -39.04 81.78 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.145 -0.972 . . . . 0.0 109.048 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -63.55 -38.74 92.27 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.258 -0.901 . . . . 0.0 108.845 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.41 ' HB2' ' H2 ' ' A' ' 1' ' ' MET . 2.9 m120 -57.66 -39.61 77.44 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.713 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.51 -39.67 95.04 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.83 95.08 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.395 -0.816 . . . . 0.0 109.201 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.651 ' NH1' ' NH2' ' A' ' 119' ' ' ARG . 14.5 tpp85 -60.4 -39.89 88.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.253 -0.904 . . . . 0.0 109.019 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.488 ' CG1' HD13 ' A' ' 27' ' ' LEU . 54.0 t -62.0 -37.94 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.336 -0.853 . . . . 0.0 109.058 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.65 -40.71 85.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.97 81.45 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.391 -0.818 . . . . 0.0 108.936 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -35.45 80.87 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -59.44 -42.03 90.97 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.206 -0.934 . . . . 0.0 108.538 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -60.43 -38.51 84.32 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -58.25 -41.08 83.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.373 -0.829 . . . . 0.0 109.108 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -62.03 -41.46 98.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.0 109.482 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -58.61 -39.16 79.63 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.129 -0.982 . . . . 0.0 109.06 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -61.51 -32.74 72.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.427 -0.796 . . . . 0.0 109.314 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.585 HG12 HD13 ' A' ' 20' ' ' LEU . 13.0 t -84.29 -14.31 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.0 109.545 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.2 8.32 68.81 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.585 HD13 HG12 ' A' ' 18' ' ' VAL . 11.0 mp -97.66 54.67 1.18 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.384 -1.068 . . . . 0.0 109.193 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.84 -22.83 35.44 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.1 mm -58.11 -48.8 83.51 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.073 -1.251 . . . . 0.0 109.831 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.428 HD11 ' CE2' ' A' ' 92' ' ' TYR . 23.1 mm -63.43 -42.57 96.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.042 -1.036 . . . . 0.0 108.947 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.54 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.63 -38.52 93.86 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.857 ' CE2' HD11 ' A' ' 29' ' ' LEU . 71.2 t80 -62.97 -47.6 82.45 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.023 -1.28 . . . . 0.0 110.641 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -59.93 -46.73 88.44 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.126 -0.984 . . . . 0.0 111.267 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.54 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.8 pp -66.71 -33.78 76.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.677 -1.264 . . . . 0.0 110.177 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.477 ' N ' HD12 ' A' ' 27' ' ' LEU . 91.2 mt-30 -60.19 -40.68 90.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.667 -1.271 . . . . 0.0 108.421 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.857 HD11 ' CE2' ' A' ' 25' ' ' TYR . 87.0 mt -59.95 -42.28 93.71 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.66 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 89.5 t80 -64.47 -35.69 81.76 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.616 -0.678 . . . . 0.0 109.266 178.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.94 -45.28 86.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.335 -0.853 . . . . 0.0 109.901 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.848 ' CG2' HD22 ' B' ' 199' ' ' LEU . 0.7 OUTLIER -67.08 -40.23 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 120.881 -1.137 . . . . 0.0 108.762 179.504 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 97.0 mt-10 -61.78 -35.51 78.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.948 -1.095 . . . . 0.0 108.6 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.713 HD23 ' HB2' ' A' ' 5' ' ' ALA . 31.9 tp -64.48 -42.0 96.14 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.426 -0.796 . . . . 0.0 109.832 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.469 HD11 HD12 ' A' ' 52' ' ' LEU . 92.4 mt -61.44 -48.49 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.239 -0.913 . . . . 0.0 110.088 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 36' ' ' LEU . 7.2 mp -65.19 -34.58 78.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.319 -0.863 . . . . 0.0 109.702 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.8 m -83.28 -0.21 48.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 0.0 109.354 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.58 ' OE2' ' N ' ' A' ' 2' ' ' ALA . 83.8 tt0 -96.85 150.45 20.71 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.325 -0.86 . . . . 0.0 109.701 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.7 149.45 17.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.254 -0.904 . . . . 0.0 109.526 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -58.93 138.82 57.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.359 -0.838 . . . . 0.0 110.272 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.537 ' HE ' ' CD ' ' A' ' 38' ' ' GLU . 94.5 mtt-85 -122.71 170.79 9.69 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -57.46 166.4 1.26 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.293 -0.88 . . . . 0.0 110.036 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.8 -30.97 64.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.555 -0.715 . . . . 0.0 110.904 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.455 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 55.1 mp0 -54.79 -40.09 69.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.81 -1.181 . . . . 0.0 109.629 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.59 ' CE ' ' HB1' ' A' ' 2' ' ' ALA . 5.2 tpt -64.68 -37.48 87.73 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.041 -1.037 . . . . 0.0 108.898 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.7 m -59.78 -40.84 89.62 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.523 -0.735 . . . . 0.0 109.383 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.91 -44.21 96.71 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.2 -0.938 . . . . 0.0 108.92 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.524 HD23 ' CE ' ' A' ' 45' ' ' MET . 34.2 tp -61.16 -39.67 90.98 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.293 -0.879 . . . . 0.0 108.973 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.78 90.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.366 -0.834 . . . . 0.0 109.06 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.7 m -60.76 -40.8 93.84 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.258 -0.901 . . . . 0.0 108.859 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.99 -39.52 89.97 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.368 -0.832 . . . . 0.0 109.166 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.469 HD12 HD11 ' A' ' 35' ' ' ILE . 73.5 mt -61.74 -40.66 95.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.15 -0.969 . . . . 0.0 109.14 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.0 HD21 ' HE ' ' B' ' 198' ' ' ARG . 42.3 tp -59.94 -40.34 88.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.129 -0.982 . . . . 0.0 108.662 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -60.12 -38.45 83.05 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 59' ' ' PHE . 32.4 m -60.12 -42.56 95.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.685 -0.635 . . . . 0.0 109.427 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.527 HD12 HD12 ' A' ' 53' ' ' LEU . 90.7 mt -57.87 -52.28 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.149 -0.969 . . . . 0.0 108.714 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.21 -36.35 81.67 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.39 -32.88 74.54 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' THR . 77.4 t80 -58.58 -51.69 68.83 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.263 -0.898 . . . . 0.0 108.804 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.419 ' NZ ' HD11 ' B' ' 202' ' ' LEU . 98.5 mttt -61.51 -39.24 90.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.222 -0.923 . . . . 0.0 108.909 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -82.3 -1.6 50.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.509 -0.744 . . . . 0.0 109.66 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.6 tt0 -48.43 -33.54 9.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.311 -0.868 . . . . 0.0 110.111 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.964 HD11 ' SD ' ' A' ' 79' ' ' MET . 85.9 mt -67.72 -41.04 84.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.015 -1.053 . . . . 0.0 109.596 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.49 -5.54 10.35 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.209 -1.557 . . . . 0.0 109.209 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.522 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 91.2 -5.24 81.27 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -66.56 -46.6 75.5 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.091 -1.241 . . . . 0.0 108.76 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.415 ' HB3' HG23 ' A' ' 63' ' ' ILE . 9.1 t -66.99 -30.88 71.11 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.521 0.677 . . . . 0.0 109.179 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.25 -28.68 69.34 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.469 -0.77 . . . . 0.0 109.886 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.97 -36.34 72.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.993 -1.067 . . . . 0.0 110.098 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -122.79 139.38 54.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.274 -0.891 . . . . 0.0 109.867 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 48.55 43.78 20.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.275 -0.891 . . . . 0.0 109.165 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -42.08 99.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.353 -0.842 . . . . 0.0 110.462 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.587 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 91.0 m-20 -60.99 -45.04 96.4 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.046 -1.034 . . . . 0.0 109.806 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -69.82 -44.42 70.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.302 -0.874 . . . . 0.0 110.513 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.8 m -61.64 -45.3 94.63 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.089 -1.007 . . . . 0.0 110.237 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 99.2 mt -68.3 -38.54 81.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.982 . . . . 0.0 110.109 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.587 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 66.6 m170 -58.07 -45.34 87.27 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.165 -0.959 . . . . 0.0 110.324 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.77 -49.55 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.049 -1.032 . . . . 0.0 110.217 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.964 ' SD ' HD11 ' A' ' 63' ' ' ILE . 88.8 mtp -68.07 -46.14 71.87 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.18 -0.95 . . . . 0.0 110.894 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.472 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 35.3 m-20 -69.13 -44.16 72.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.954 -1.091 . . . . 0.0 110.908 -178.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 88.9 m -61.86 -47.44 85.01 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.036 -1.04 . . . . 0.0 111.394 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.1 mt -73.47 -34.66 65.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.904 -1.122 . . . . 0.0 110.985 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.7 mt -80.33 -42.77 21.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 120.99 -1.069 . . . . 0.0 111.405 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 74.8 m80 -71.35 -47.99 53.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.021 -1.049 . . . . 0.0 111.14 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -79.47 111.18 15.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.908 -1.12 . . . . 0.0 110.119 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -61.79 -36.48 81.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.442 -0.786 . . . . 0.0 109.848 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.524 ' OE2' ' CH2' ' A' ' 135' ' ' TRP . 76.7 mm-40 -59.66 -41.21 90.08 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.2 -0.937 . . . . 0.0 109.624 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -62.53 -34.46 76.97 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.173 -0.954 . . . . 0.0 108.651 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.2 -41.94 69.64 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.271 -0.893 . . . . 0.0 109.467 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -62.42 -48.38 79.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.184 -0.947 . . . . 0.0 109.764 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.814 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -70.19 -45.09 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.304 -0.873 . . . . 0.0 109.29 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.814 ' N ' HD12 ' A' ' 91' ' ' ILE . 57.8 t80 -61.61 -46.02 91.62 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.1 -1.0 . . . . 0.0 108.483 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.8 mmm -65.56 -40.62 93.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.308 -0.87 . . . . 0.0 109.216 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.2 tp -63.93 -41.56 97.6 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.356 -0.84 . . . . 0.0 109.705 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -62.15 -43.69 98.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.353 -0.842 . . . . 0.0 109.821 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.645 ' CE2' HD11 ' A' ' 100' ' ' LEU . 65.9 t80 -64.16 -44.83 90.89 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.296 -0.878 . . . . 0.0 109.641 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 45.8 p -61.53 -41.87 97.98 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.284 -0.885 . . . . 0.0 109.877 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.1 ttm -59.63 -40.28 87.12 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.255 -0.903 . . . . 0.0 109.003 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 m -61.76 -40.65 95.89 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.454 -0.778 . . . . 0.0 109.295 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.645 HD11 ' CE2' ' A' ' 96' ' ' PHE . 78.2 mt -65.49 -38.51 89.96 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.246 -0.909 . . . . 0.0 109.579 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.813 ' CE2' HD11 ' A' ' 105' ' ' LEU . 82.5 t80 -58.87 -48.07 82.68 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.168 -0.958 . . . . 0.0 110.111 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -65.21 -44.73 87.4 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.075 -1.016 . . . . 0.0 110.46 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.37 -41.97 98.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.233 -0.917 . . . . 0.0 110.611 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -63.22 -42.11 99.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.039 -1.038 . . . . 0.0 110.24 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.813 HD11 ' CE2' ' A' ' 101' ' ' TYR . 93.2 mt -57.14 -46.48 82.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.973 -1.079 . . . . 0.0 109.227 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -60.94 -40.11 92.06 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.111 -0.993 . . . . 0.0 109.618 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.593 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.0 mt-30 -64.28 -39.08 93.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.239 -0.913 . . . . 0.0 110.05 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.432 HD13 ' CE2' ' A' ' 157' ' ' TYR . 91.4 mt -64.22 -37.46 87.56 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.86 -1.15 . . . . 0.0 109.816 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -77.07 -53.57 7.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.277 -0.889 . . . . 0.0 110.874 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -98.65 -22.8 15.74 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.222 -0.924 . . . . 0.0 110.87 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -90.04 152.13 22.06 Favored Glycine 0 N--CA 1.492 2.405 0 C-N-CA 119.581 -1.295 . . . . 0.0 110.324 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -71.22 154.47 61.71 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.809 2.339 . . . . 0.0 111.999 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.558 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 15.8 m-90 -89.66 124.09 34.28 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.159 -0.963 . . . . 0.0 109.476 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.0 m-20 -134.62 165.12 25.97 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.29 -0.881 . . . . 0.0 109.587 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.413 ' H ' HG13 ' A' ' 115' ' ' VAL . 2.9 m -64.03 -31.3 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.375 -0.828 . . . . 0.0 109.237 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 70.0 mtm -58.87 -37.82 77.41 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.393 -0.817 . . . . 0.0 109.516 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.2 -38.62 89.86 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.112 -0.993 . . . . 0.0 109.042 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.41 -40.86 95.95 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.311 -0.868 . . . . 0.0 109.075 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.651 ' NH2' ' NH1' ' A' ' 7' ' ' ARG . 41.5 mtp180 -61.69 -39.69 92.33 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.427 -0.795 . . . . 0.0 109.432 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 83.4 p -64.49 -35.23 80.28 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.313 -0.867 . . . . 0.0 109.522 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.415 HD12 HD13 ' A' ' 158' ' ' LEU . 96.3 mt -65.93 -41.61 91.12 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.307 -0.87 . . . . 0.0 109.504 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -60.98 -41.77 97.05 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.081 -1.012 . . . . 0.0 109.196 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.7 m -68.65 -44.02 75.0 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.237 -0.915 . . . . 0.0 109.684 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 79.2 m -59.93 -47.24 86.58 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.216 -0.928 . . . . 0.0 109.87 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.57 -37.37 74.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 121.149 -0.969 . . . . 0.0 109.229 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.55 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.2 m-20 -61.09 -40.75 94.9 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.349 -0.844 . . . . 0.0 109.585 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.71 -42.0 99.43 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.201 -0.937 . . . . 0.0 109.478 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -72.18 -43.18 64.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.299 -0.875 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.0 p -69.36 -37.62 77.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.186 -0.946 . . . . 0.0 110.233 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.66 ' SG ' ' CD1' ' A' ' 30' ' ' TYR . 76.0 m -68.87 -50.35 50.53 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.051 -1.031 . . . . 0.0 110.026 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 79.9 mt -69.05 -48.75 67.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.37 0 O-C-N 121.221 -0.924 . . . . 0.0 109.799 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.667 HD21 HE22 ' A' ' 148' ' ' GLN . 43.3 tp -60.67 -41.24 94.68 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.378 -0.826 . . . . 0.0 110.005 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -60.33 -49.14 78.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.213 -0.93 . . . . 0.0 110.148 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.7 tp -63.73 -43.16 97.32 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.079 -1.013 . . . . 0.0 109.808 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.524 ' CH2' ' OE2' ' A' ' 87' ' ' GLU . 97.3 m95 -86.87 -3.1 59.03 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.252 -0.905 . . . . 0.0 110.307 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.4 OUTLIER -51.97 -34.86 44.22 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.109 -0.994 . . . . 0.0 110.217 -179.247 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.19 -27.11 68.74 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.065 -1.022 . . . . 0.0 109.083 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -90.83 -0.97 57.87 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.376 -0.827 . . . . 0.0 110.132 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.7 mm -104.12 142.71 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.172 -0.955 . . . . 0.0 109.56 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 54.4 p -77.8 155.42 31.12 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.27 -0.893 . . . . 0.0 108.867 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -54.4 -44.34 72.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.104 -0.997 . . . . 0.0 109.789 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.0 m -70.24 -43.12 71.23 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.97 -1.081 . . . . 0.0 109.388 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 50.1 m -58.74 -38.27 78.03 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.13 -0.981 . . . . 0.0 108.506 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.73 -38.61 91.58 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -55.74 -42.72 75.8 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.439 -0.788 . . . . 0.0 109.459 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 86.0 p -65.16 -45.46 84.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.283 -0.886 . . . . 0.0 109.462 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 49.9 mt -67.07 -41.42 86.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.221 -0.925 . . . . 0.0 108.935 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.667 HE22 HD21 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -64.62 -34.89 79.34 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.016 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -58.85 -44.8 91.09 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.395 -0.816 . . . . 0.0 108.844 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -60.21 -41.46 93.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.173 -0.954 . . . . 0.0 108.663 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 148' ' ' GLN . 88.1 mt -60.7 -41.84 89.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.531 -0.731 . . . . 0.0 109.034 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -59.14 -38.04 78.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.848 . . . . 0.0 109.256 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.39 -43.83 98.2 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.151 -0.968 . . . . 0.0 109.385 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 74.7 m -66.43 -50.98 61.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.137 -0.977 . . . . 0.0 109.108 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -64.38 -37.21 86.7 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.359 -0.838 . . . . 0.0 109.63 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 12.2 mt -58.3 -47.5 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.236 -0.915 . . . . 0.0 110.091 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.558 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 69.1 t80 -62.84 -40.63 98.03 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.415 HD13 HD12 ' A' ' 121' ' ' LEU . 47.5 tp -59.96 -41.16 91.3 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.717 -0.615 . . . . 0.0 109.634 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.3 t -63.27 -42.31 99.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.231 -0.918 . . . . 0.0 109.98 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.4 -39.59 91.3 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.121 -0.987 . . . . 0.0 109.487 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.5 HD11 ' CE2' ' A' ' 157' ' ' TYR . 9.6 mp -66.26 -35.66 80.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.077 -1.014 . . . . 0.0 109.148 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.42 81.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.276 -0.89 . . . . 0.0 109.097 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -81.42 -12.59 58.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.282 -0.886 . . . . 0.0 109.114 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.56 -2.29 70.18 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -94.81 140.63 29.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.266 -1.138 . . . . 0.0 109.646 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 37.8 mm -116.52 134.37 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.495 -0.753 . . . . 0.0 109.39 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 CA-C-O 117.961 -1.466 . . . . 0.0 109.549 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 18.1 m120 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 177' ' ' VAL . . . . . 0.474 ' H ' HG22 ' B' ' 177' ' ' VAL . 0.4 OUTLIER -67.95 154.45 93.69 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.326 -0.859 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -44.43 142.33 4.57 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.334 2.023 . . . . 0.0 112.197 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -59.19 145.61 42.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.28 -0.888 . . . . 0.0 109.478 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 84.9 mt -55.17 -38.37 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.158 -0.964 . . . . 0.0 109.215 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -57.88 -26.56 62.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.325 -0.86 . . . . 0.0 109.5 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -55.22 -25.0 30.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.34 -0.85 . . . . 0.0 109.782 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -56.59 -32.2 65.01 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.107 -0.996 . . . . 0.0 109.241 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.82 -25.67 68.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.38 -0.825 . . . . 0.0 109.589 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 55.6 t -51.7 -43.44 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.164 -0.96 . . . . 0.0 109.902 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -117.72 150.7 38.65 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.365 -0.834 . . . . 0.0 109.402 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 75.9 t -75.27 -41.7 43.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.534 -0.729 . . . . 0.0 109.877 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -59.28 -36.41 75.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.009 -1.057 . . . . 0.0 110.399 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -58.36 -46.34 86.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.092 -1.005 . . . . 0.0 110.826 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.38 -43.64 73.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.096 -1.002 . . . . 0.0 110.436 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -58.85 -42.13 88.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.726 -1.234 . . . . 0.0 109.746 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.79 -37.73 88.6 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.159 -0.963 . . . . 0.0 109.247 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.39 -41.13 93.18 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.246 -0.909 . . . . 0.0 108.943 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -62.55 -40.03 95.5 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.0 109.267 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 195' ' ' LEU . . . . . 0.44 ' CD1' HD22 ' A' ' 53' ' ' LEU . 39.4 tp -60.11 -39.52 86.47 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.381 -0.824 . . . . 0.0 109.374 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.86 89.64 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.187 -0.946 . . . . 0.0 109.138 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.15 -35.35 80.82 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.285 -0.885 . . . . 0.0 109.199 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 198' ' ' ARG . . . . . 1.0 ' HE ' HD21 ' A' ' 53' ' ' LEU . 68.0 mtp85 -62.28 -41.8 98.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.875 . . . . 0.0 109.341 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 199' ' ' LEU . . . . . 0.848 HD22 ' CG2' ' A' ' 32' ' ' VAL . 35.8 tp -62.93 -45.18 93.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.205 -0.934 . . . . 0.0 109.129 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -64.59 -39.7 94.19 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.506 -0.746 . . . . 0.0 109.555 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -68.22 -42.16 80.2 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.231 -0.918 . . . . 0.0 109.239 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 202' ' ' LEU . . . . . 0.491 ' CD2' HG21 ' A' ' 56' ' ' ILE . 17.7 tp -62.32 -37.51 85.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.284 -0.885 . . . . 0.0 109.228 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -87.85 -7.91 56.58 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.334 -0.854 . . . . 0.0 109.516 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 CA-C-O 117.942 -1.477 . . . . 0.0 109.571 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.42 88.85 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.163 -0.961 . . . . 0.0 109.078 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -63.6 -37.41 87.21 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.237 -0.915 . . . . 0.0 109.024 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -56.24 -42.65 77.67 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.782 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.9 -39.98 95.44 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.57 97.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.341 -0.849 . . . . 0.0 109.202 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.575 ' O ' HG23 ' A' ' 11' ' ' THR . 10.7 tpt180 -60.33 -38.2 83.01 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.191 -0.943 . . . . 0.0 109.066 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.69 -39.8 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.343 -0.848 . . . . 0.0 109.053 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.48 -38.87 81.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.119 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.21 95.2 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.202 -0.999 . . . . 0.0 108.562 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 7' ' ' ARG . 3.7 p -68.18 -34.18 75.81 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.67 -43.51 89.89 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.386 -0.821 . . . . 0.0 108.875 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -62.58 -43.35 99.03 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -61.24 -40.48 94.22 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.353 -0.842 . . . . 0.0 109.126 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.7 -41.25 97.34 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.337 -0.852 . . . . 0.0 109.031 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.486 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 21.5 t70 -58.83 -38.38 78.54 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.355 -0.841 . . . . 0.0 108.828 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -59.87 -30.36 68.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.406 -0.809 . . . . 0.0 108.826 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 18' ' ' VAL . 58.9 t -83.85 -9.27 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.438 -0.789 . . . . 0.0 109.491 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.54 16.56 56.71 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.551 HD13 ' CZ ' ' A' ' 96' ' ' PHE . 67.4 mt -95.85 44.95 1.08 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.306 -1.114 . . . . 0.0 109.151 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.34 -34.66 54.44 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.021 -1.231 . . . . 0.0 110.021 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 mm -59.77 -48.72 86.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.026 -1.279 . . . . 0.0 109.394 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.7 mm -63.61 -43.36 98.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.307 -0.87 . . . . 0.0 108.895 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.565 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.9 -38.43 94.08 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.751 -1.339 . . . . 0.0 109.751 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.846 ' CE2' HD11 ' A' ' 29' ' ' LEU . 71.2 t80 -63.21 -47.54 82.09 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.043 -1.269 . . . . 0.0 110.713 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 44.6 t80 -60.84 -46.07 92.01 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.119 -0.988 . . . . 0.0 111.111 -178.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.565 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.9 pp -66.32 -34.06 77.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.665 -1.272 . . . . 0.0 110.131 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.494 ' N ' HD12 ' A' ' 27' ' ' LEU . 92.3 mt-30 -59.93 -39.99 87.38 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.69 -1.256 . . . . 0.0 108.071 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.846 HD11 ' CE2' ' A' ' 25' ' ' TYR . 87.6 mt -61.83 -38.15 87.1 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.486 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 85.6 t80 -66.89 -35.76 80.74 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.452 -0.78 . . . . 0.0 109.235 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.69 92.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.315 -0.865 . . . . 0.0 110.211 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.428 HG21 HD22 ' B' ' 199' ' ' LEU . 1.9 p -65.75 -42.4 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.841 -1.162 . . . . 0.0 108.915 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.67 -34.83 76.42 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.894 -1.129 . . . . 0.0 108.823 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.782 HD23 ' HB2' ' A' ' 5' ' ' ALA . 24.2 tp -64.56 -45.1 88.5 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.305 -0.872 . . . . 0.0 109.977 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.59 -46.47 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.102 -0.999 . . . . 0.0 110.356 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.1 mp -62.95 -32.52 73.86 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.361 -0.837 . . . . 0.0 109.855 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.9 m -71.25 -26.37 62.87 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.153 -0.967 . . . . 0.0 109.699 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -67.81 149.94 49.25 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.166 -0.959 . . . . 0.0 110.037 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.06 151.81 14.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.405 -0.81 . . . . 0.0 108.997 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -56.45 137.16 53.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.174 -0.954 . . . . 0.0 109.506 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -122.38 170.23 10.16 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.408 0.623 . . . . 0.0 109.8 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.7 p -58.24 171.23 0.59 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.387 -0.821 . . . . 0.0 109.896 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.35 -27.3 55.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.545 -0.722 . . . . 0.0 110.774 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.09 -41.61 48.57 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.898 -1.126 . . . . 0.0 109.252 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.566 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -63.57 -37.62 87.99 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.212 -0.93 . . . . 0.0 108.649 179.024 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.0 m -59.38 -40.14 85.59 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.38 -0.825 . . . . 0.0 109.103 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.57 98.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.3 -0.875 . . . . 0.0 108.648 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.76 -36.28 83.37 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.352 -0.842 . . . . 0.0 109.048 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.57 97.23 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.301 -0.874 . . . . 0.0 108.857 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.2 m -61.11 -42.85 99.28 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.32 -0.863 . . . . 0.0 108.962 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.4 -40.06 95.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.255 -0.903 . . . . 0.0 108.979 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.1 tp -59.14 -41.62 88.73 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.21 -0.931 . . . . 0.0 109.216 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.728 HD22 HD11 ' B' ' 195' ' ' LEU . 37.2 tp -60.59 -40.72 92.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.28 -0.888 . . . . 0.0 108.753 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -60.25 -39.68 87.6 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.46 -0.775 . . . . 0.0 108.932 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.1 m -60.38 -42.3 95.56 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.633 -0.667 . . . . 0.0 109.7 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.62 -52.58 58.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.104 -0.998 . . . . 0.0 109.024 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.63 -36.64 84.48 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.62 -33.47 75.73 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -59.35 -54.2 49.49 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.252 -0.905 . . . . 0.0 109.313 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -62.28 -42.84 99.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.171 -0.955 . . . . 0.0 109.388 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -82.97 -2.35 54.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.371 -0.83 . . . . 0.0 110.132 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.596 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.39 -35.49 19.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.115 -0.99 . . . . 0.0 110.008 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.633 HD11 ' SD ' ' A' ' 79' ' ' MET . 86.4 mt -68.74 -40.18 81.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.106 -0.996 . . . . 0.0 109.663 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.24 -5.9 83.09 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.105 -1.598 . . . . 0.0 109.105 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.68 -1.68 85.63 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.69 -46.97 80.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.033 -1.275 . . . . 0.0 109.748 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.3 m -67.57 -33.19 74.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.236 -0.915 . . . . 0.0 108.997 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.617 ' OE2' HD21 ' A' ' 76' ' ' LEU . 96.9 mt-10 -61.21 -28.73 69.36 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.565 -0.709 . . . . 0.0 109.933 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -37.15 -35.0 0.09 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.497 -0.752 . . . . 0.0 109.953 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' GLU . 77.8 mm-40 -116.0 132.19 56.72 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.395 -0.815 . . . . 0.0 109.11 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 51.87 47.74 24.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.099 -1.0 . . . . 0.0 109.197 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -58.84 -35.3 72.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.247 -0.908 . . . . 0.0 110.183 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.481 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 91.1 m-20 -62.15 -43.84 97.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.087 -1.008 . . . . 0.0 110.166 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -65.84 -42.72 90.17 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.221 -0.924 . . . . 0.0 110.556 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -61.4 -45.4 94.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.044 -1.035 . . . . 0.0 109.948 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.617 HD21 ' OE2' ' A' ' 68' ' ' GLU . 86.4 mt -68.15 -36.91 80.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 109.684 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 4.5 m-70 -59.01 -45.2 91.28 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.22 -0.925 . . . . 0.0 110.266 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.0 t -67.98 -50.31 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 110.143 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.633 ' SD ' HD11 ' A' ' 63' ' ' ILE . 88.5 mtp -68.45 -46.74 69.0 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.096 -1.003 . . . . 0.0 110.387 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.583 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 54.2 t-20 -65.55 -42.49 91.82 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 110.825 -178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.565 HG22 ' HD2' ' A' ' 88' ' ' LYS . 55.1 m -70.77 -49.26 48.63 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.147 -0.97 . . . . 0.0 111.86 -178.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.2 mt -72.02 -34.14 68.6 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.875 -1.141 . . . . 0.0 111.436 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.518 HG23 ' CG ' ' A' ' 25' ' ' TYR . 89.9 mt -77.71 -35.5 21.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 120.905 -1.122 . . . . 0.0 111.008 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.583 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 79.9 m80 -90.8 -28.32 18.29 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.981 -1.075 . . . . 0.0 111.116 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.419 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 62.2 t0 -88.38 104.52 16.85 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.762 -1.211 . . . . 0.0 109.92 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -62.28 -35.09 77.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.259 -0.901 . . . . 0.0 110.423 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.24 -47.37 85.59 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.982 -1.074 . . . . 0.0 109.187 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.565 ' HD2' HG22 ' A' ' 81' ' ' THR . 49.6 mttp -70.91 -33.74 70.85 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.325 -0.86 . . . . 0.0 109.031 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.33 -45.5 69.32 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.375 -0.828 . . . . 0.0 109.845 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' A' ' 131' ' ' ILE . 15.4 ttpt -62.69 -49.06 76.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.181 -0.949 . . . . 0.0 109.801 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.804 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -68.56 -45.41 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.266 -0.896 . . . . 0.0 109.198 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.804 ' N ' HD12 ' A' ' 91' ' ' ILE . 62.5 t80 -62.35 -45.32 93.71 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.194 -0.941 . . . . 0.0 108.629 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CD1' ' A' ' 26' ' ' TYR . 63.8 ttp -70.06 -40.88 74.8 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.472 -0.767 . . . . 0.0 109.633 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.4 tp -61.9 -41.79 98.32 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.058 -1.026 . . . . 0.0 109.609 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -62.61 -47.99 81.38 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.164 -0.96 . . . . 0.0 109.485 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.551 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 65.7 t80 -69.71 -46.05 66.86 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.33 -0.856 . . . . 0.0 109.313 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.635 HG23 HD23 ' A' ' 127' ' ' LEU . 28.5 m -58.04 -42.58 85.69 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.452 -0.78 . . . . 0.0 109.553 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.9 ttm -62.89 -41.67 99.5 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.239 -0.913 . . . . 0.0 109.2 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.1 m -64.53 -37.93 89.24 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.387 -0.821 . . . . 0.0 109.677 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.9 tp -62.27 -41.45 98.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.25 -0.906 . . . . 0.0 109.823 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.606 ' CZ ' ' SG ' ' A' ' 154' ' ' CYS . 76.8 t80 -65.44 -46.47 79.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.341 -0.849 . . . . 0.0 110.146 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -61.3 -45.72 93.31 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.155 -0.965 . . . . 0.0 109.908 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.41 -44.8 86.31 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.215 -0.928 . . . . 0.0 109.024 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.663 ' NZ ' ' SG ' ' A' ' 124' ' ' CYS . 36.1 ttmt -63.27 -37.99 89.43 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.36 -0.837 . . . . 0.0 108.784 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.2 tp -55.91 -44.77 78.6 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -62.61 -38.04 88.63 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.246 -0.909 . . . . 0.0 108.784 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.6 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.7 mm-40 -60.28 -38.6 84.09 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.399 -0.813 . . . . 0.0 109.303 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.732 HD13 ' CE2' ' A' ' 157' ' ' TYR . 62.6 mt -64.81 -37.82 88.9 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.927 -1.108 . . . . 0.0 109.023 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -75.96 -52.8 9.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.392 -0.818 . . . . 0.0 110.844 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -92.76 -22.67 19.22 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.28 -0.888 . . . . 0.0 110.719 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -94.1 155.27 21.84 Favored Glycine 0 N--CA 1.493 2.478 0 C-N-CA 119.576 -1.297 . . . . 0.0 110.09 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -66.72 151.21 83.02 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.915 2.41 . . . . 0.0 111.941 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.868 ' HE1' ' HH ' ' A' ' 157' ' ' TYR . 20.2 m-90 -96.54 123.84 40.33 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.239 -0.913 . . . . 0.0 109.674 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 89.3 m-20 -135.03 171.86 13.83 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.421 -0.799 . . . . 0.0 109.33 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -63.75 -32.49 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.244 -0.91 . . . . 0.0 109.522 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.41 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 70.2 mtm -59.88 -38.27 81.73 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.294 -0.879 . . . . 0.0 109.385 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.5 mm? -65.35 -38.51 90.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.166 -0.958 . . . . 0.0 109.104 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -58.78 -42.95 90.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.914 . . . . 0.0 109.148 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -63.12 -39.99 96.31 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.325 -0.859 . . . . 0.0 109.522 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.541 ' HB2' ' HZ3' ' A' ' 104' ' ' LYS . 78.6 p -65.1 -35.31 80.72 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.276 -0.89 . . . . 0.0 109.618 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 121' ' ' LEU . 96.1 mt -65.85 -41.23 91.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.295 -0.878 . . . . 0.0 109.649 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.645 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 84.5 m95 -63.02 -40.96 99.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.074 -1.017 . . . . 0.0 109.613 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 74.4 m -69.23 -43.79 73.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 0.0 110.128 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.663 ' SG ' ' NZ ' ' A' ' 104' ' ' LYS . 67.5 m -65.13 -49.95 67.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.186 -0.946 . . . . 0.0 110.223 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.433 HG23 HG23 ' A' ' 151' ' ' ILE . 95.9 mt -60.77 -44.08 96.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.085 -1.01 . . . . 0.0 109.681 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.427 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.2 m-20 -60.69 -38.59 85.46 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.221 -0.924 . . . . 0.0 109.388 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.635 HD23 HG23 ' A' ' 97' ' ' THR . 38.8 tp -61.28 -42.53 98.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.406 -0.809 . . . . 0.0 109.584 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -66.18 -43.47 86.74 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.234 -0.916 . . . . 0.0 109.031 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 t -61.56 -36.77 81.55 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.343 -0.848 . . . . 0.0 109.246 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.486 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 73.3 m -60.97 -43.77 98.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.303 -0.873 . . . . 0.0 109.235 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.6 HG23 ' HG3' ' A' ' 90' ' ' LYS . 92.5 mt -59.39 -50.41 79.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 121.255 -0.903 . . . . 0.0 110.008 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.698 HD23 HE22 ' A' ' 148' ' ' GLN . 8.8 mp -67.45 -37.08 82.43 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.358 -0.838 . . . . 0.0 110.209 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -59.21 -50.16 75.09 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.192 -0.943 . . . . 0.0 110.525 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.8 tp -69.56 -43.98 71.81 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.063 -1.023 . . . . 0.0 109.702 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -87.06 4.57 41.51 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.409 -0.807 . . . . 0.0 110.04 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.9 OUTLIER -49.61 -39.91 37.2 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.238 -0.914 . . . . 0.0 109.627 -179.562 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.64 -26.14 66.92 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.16 -0.962 . . . . 0.0 110.149 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -89.12 -4.98 58.12 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.032 -1.043 . . . . 0.0 110.639 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.6 mt -112.87 145.62 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.215 -0.928 . . . . 0.0 109.531 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 54.8 p -77.81 154.98 31.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.337 -0.852 . . . . 0.0 109.37 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.25 -39.8 80.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.282 -0.886 . . . . 0.0 109.881 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.0 m -70.57 -45.35 65.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.852 -1.155 . . . . 0.0 109.759 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.6 m -63.35 -47.68 81.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.174 -0.953 . . . . 0.0 109.461 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.426 HG21 ' NZ ' ' A' ' 136' ' ' LYS . 0.6 OUTLIER -61.89 -38.73 89.44 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.27 -0.894 . . . . 0.0 108.714 179.563 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ASN . . . . . 0.412 ' N ' ' CG2' ' A' ' 144' ' ' THR . 29.7 t-20 -55.57 -43.62 76.08 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.307 -0.871 . . . . 0.0 109.293 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.2 m -60.95 -46.69 89.7 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.22 -0.925 . . . . 0.0 109.297 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' ' 147' ' ' LEU . 6.6 mp -61.77 -38.52 88.35 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.698 HE22 HD23 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -61.66 -36.58 81.22 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.364 -0.835 . . . . 0.0 108.813 179.172 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -60.79 -39.9 90.6 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.23 -0.919 . . . . 0.0 109.068 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -60.92 -40.51 93.45 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.016 -1.052 . . . . 0.0 108.267 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.433 HG23 HG23 ' A' ' 125' ' ' ILE . 88.9 mt -62.01 -37.83 79.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.439 ' O ' HD12 ' A' ' 156' ' ' ILE . 26.3 mmtt -57.67 -41.07 80.79 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -58.3 -41.89 85.43 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' CYS . . . . . 0.606 ' SG ' ' CZ ' ' A' ' 101' ' ' TYR . 55.8 m -65.49 -50.38 65.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.446 -0.784 . . . . 0.0 109.165 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -62.65 -37.65 87.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.252 -0.905 . . . . 0.0 109.55 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.439 HD12 ' O ' ' A' ' 152' ' ' LYS . 1.9 mt -58.97 -46.46 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.272 -0.892 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.868 ' HH ' ' HE1' ' A' ' 113' ' ' TRP . 61.0 t80 -62.59 -40.06 95.69 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.645 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 18.4 tp -59.81 -40.9 89.97 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 121.622 -0.674 . . . . 0.0 109.347 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.0 t -60.91 -41.13 95.52 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.305 -0.872 . . . . 0.0 109.39 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -61.22 -39.88 91.91 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.178 -0.951 . . . . 0.0 108.853 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 72.8 mt -64.78 -34.58 78.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.242 -0.911 . . . . 0.0 108.968 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.11 -36.57 84.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.422 -0.799 . . . . 0.0 109.537 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -81.22 -12.52 59.12 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.116 -0.99 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 87.67 -5.26 85.24 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -96.07 120.56 36.57 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.142 -1.21 . . . . 0.0 109.038 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.747 HD11 ' CE1' ' A' ' 157' ' ' TYR . 9.7 tp -150.83 147.28 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 120.973 -1.079 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.988 0 CA-C-O 117.943 -1.476 . . . . 0.0 109.697 179.374 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 50.1 t30 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.285 0.564 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 177' ' ' VAL . . . . . 0.428 ' H ' HG22 ' B' ' 177' ' ' VAL . 0.6 OUTLIER -67.98 154.35 93.88 Favored Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.218 -0.926 . . . . 0.0 109.27 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -46.47 -23.84 2.39 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.272 1.981 . . . . 0.0 111.974 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -98.62 140.94 32.09 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.269 -0.894 . . . . 0.0 109.66 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 71.9 mt -114.01 136.64 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.529 -0.732 . . . . 0.0 109.346 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -83.31 140.38 32.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.169 -0.957 . . . . 0.0 109.422 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -148.84 155.0 40.29 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.21 -0.931 . . . . 0.0 109.538 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 73.1 mttt 56.68 42.0 27.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.441 -0.787 . . . . 0.0 109.467 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -142.06 -36.32 0.42 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.272 -0.892 . . . . 0.0 109.476 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 185' ' ' VAL . . . . . 0.5 ' O ' ' OD1' ' B' ' 188' ' ' ASP . 54.2 t -60.92 -43.03 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.211 -0.931 . . . . 0.0 109.689 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -59.89 -32.59 70.88 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.31 -0.869 . . . . 0.0 110.075 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 61.4 t -58.46 -40.92 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.084 -1.01 . . . . 0.0 109.898 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.657 ' OD1' ' N ' ' B' ' 189' ' ' ASP . 37.6 p30 -64.12 -26.66 68.64 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.81 -1.181 . . . . 0.0 109.548 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 189' ' ' ASP . . . . . 0.657 ' N ' ' OD1' ' B' ' 188' ' ' ASP . 40.2 t0 -60.27 -47.73 84.77 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.027 -1.045 . . . . 0.0 109.784 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.69 -43.02 73.32 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.331 -0.855 . . . . 0.0 110.012 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -58.81 -43.5 90.59 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.887 -1.133 . . . . 0.0 109.698 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.86 -37.0 85.01 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.158 -0.964 . . . . 0.0 109.449 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.76 -41.6 95.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.246 -0.909 . . . . 0.0 109.114 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -62.34 -43.63 98.38 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.343 -0.848 . . . . 0.0 109.243 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 195' ' ' LEU . . . . . 0.728 HD11 HD22 ' A' ' 53' ' ' LEU . 35.8 tp -61.28 -41.09 96.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.336 -0.852 . . . . 0.0 109.451 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.06 88.24 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.243 -0.911 . . . . 0.0 109.312 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -65.27 -35.33 80.7 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.207 -0.933 . . . . 0.0 109.196 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -60.21 -43.6 95.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.311 -0.868 . . . . 0.0 109.258 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 199' ' ' LEU . . . . . 0.428 HD22 HG21 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -63.85 -41.15 97.87 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.214 -0.929 . . . . 0.0 109.407 179.745 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -59.08 -38.55 79.73 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.282 -0.886 . . . . 0.0 109.268 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.39 88.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.255 -0.903 . . . . 0.0 108.917 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.53 -38.8 85.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.39 -0.819 . . . . 0.0 109.273 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -87.66 -8.88 55.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.375 -0.828 . . . . 0.0 109.408 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 CA-C-O 118.045 -1.42 . . . . 0.0 109.587 179.843 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.44 ' C ' ' OE2' ' A' ' 38' ' ' GLU . 64.9 mtt . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.334 0.588 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.561 ' N ' ' OE2' ' A' ' 38' ' ' GLU . . . -58.82 -38.44 78.66 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.126 -0.984 . . . . 0.0 109.176 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.2 p -63.91 -37.97 89.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.114 -0.991 . . . . 0.0 109.305 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -59.36 -42.06 90.72 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 1.027 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -65.33 -39.66 92.68 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.68 -45.19 95.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.419 -0.801 . . . . 0.0 109.567 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.646 ' NH2' ' SG ' ' A' ' 123' ' ' CYS . 0.1 OUTLIER -60.38 -39.91 88.96 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.229 -0.92 . . . . 0.0 108.719 179.776 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.577 ' CG1' HD13 ' A' ' 27' ' ' LEU . 54.9 t -63.57 -38.43 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.477 -0.764 . . . . 0.0 109.625 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.71 -40.26 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.131 -0.98 . . . . 0.0 108.688 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.23 -42.92 87.97 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.337 -0.852 . . . . 0.0 109.054 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.77 -33.76 75.46 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.214 -0.929 . . . . 0.0 108.734 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.61 95.39 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.218 -0.926 . . . . 0.0 108.793 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -61.7 -39.91 93.14 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -59.06 -41.36 87.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.426 -0.796 . . . . 0.0 109.303 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.98 -40.04 96.55 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.344 -0.848 . . . . 0.0 109.557 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -58.34 -39.54 79.74 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.084 -1.01 . . . . 0.0 108.562 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -61.88 -29.66 70.35 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.494 -0.754 . . . . 0.0 109.02 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -84.01 -11.04 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.483 -0.761 . . . . 0.0 109.541 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.68 14.95 58.97 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.919 -1.273 . . . . 0.0 109.919 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 3.9 mm? -95.44 54.62 1.62 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.215 -1.167 . . . . 0.0 108.975 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.98 -30.65 66.94 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.5 mm -58.44 -48.85 84.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 121.117 -1.225 . . . . 0.0 109.803 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.0 mm -63.3 -42.16 95.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.23 -0.919 . . . . 0.0 108.868 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.23 -42.67 97.36 Favored Glycine 0 N--CA 1.487 2.036 0 N-CA-C 109.866 -1.294 . . . . 0.0 109.866 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.686 ' CE2' HD11 ' A' ' 29' ' ' LEU . 69.2 t80 -60.85 -48.45 81.75 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.945 -1.327 . . . . 0.0 110.596 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 48.2 t80 -67.25 -45.21 77.35 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.956 -1.09 . . . . 0.0 110.551 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.717 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -68.79 -36.47 78.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.975 -1.078 . . . . 0.0 110.408 -178.847 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.457 ' NE2' HG22 ' A' ' 55' ' ' THR . 90.7 mt-30 -61.76 -40.48 95.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.684 -1.26 . . . . 0.0 108.797 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.686 HD11 ' CE2' ' A' ' 25' ' ' TYR . 79.8 mt -62.01 -39.01 90.81 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -66.44 -35.89 81.42 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.179 -0.95 . . . . 0.0 109.167 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.6 93.48 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.363 -0.835 . . . . 0.0 110.263 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.589 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -65.66 -41.91 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.824 -1.172 . . . . 0.0 109.017 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.45 -34.87 76.15 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.969 -1.082 . . . . 0.0 108.775 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.027 HD23 ' HB2' ' A' ' 5' ' ' ALA . 29.4 tp -64.33 -45.4 88.01 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.309 -0.869 . . . . 0.0 109.948 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.479 ' CG2' ' SD ' ' A' ' 45' ' ' MET . 82.5 mt -61.31 -44.65 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.243 -0.91 . . . . 0.0 110.467 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.405 ' N ' ' CD1' ' A' ' 36' ' ' LEU . 6.3 mp -62.65 -32.68 73.77 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.365 -0.834 . . . . 0.0 110.061 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.1 p -71.54 -25.71 62.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.01 -1.057 . . . . 0.0 109.748 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.561 ' OE2' ' N ' ' A' ' 2' ' ' ALA . 98.8 mt-10 -69.17 149.97 48.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.289 -0.882 . . . . 0.0 110.296 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.19 151.53 15.44 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -57.03 135.95 56.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -0.998 . . . . 0.0 109.637 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -122.36 170.97 9.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.735 -0.603 . . . . 0.0 109.53 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.9 t -56.82 171.85 0.3 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.298 -0.876 . . . . 0.0 109.813 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.99 -28.09 55.69 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.515 -0.74 . . . . 0.0 110.88 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.49 -44.44 55.88 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.689 -1.257 . . . . 0.0 109.198 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.576 ' O ' ' SD ' ' A' ' 45' ' ' MET . 7.4 tmm? -66.01 -38.06 87.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.18 -0.95 . . . . 0.0 108.751 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.9 m -59.43 -40.12 85.75 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.318 -0.864 . . . . 0.0 109.128 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.85 99.68 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.319 -0.863 . . . . 0.0 108.875 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 48' ' ' LEU . 83.1 mt -63.17 -36.92 85.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.368 -0.832 . . . . 0.0 109.242 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.52 97.66 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.266 -0.896 . . . . 0.0 109.125 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 m -61.87 -41.48 97.91 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.284 -0.885 . . . . 0.0 109.451 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.95 -42.48 99.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.24 -0.913 . . . . 0.0 109.492 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 52' ' ' LEU . 29.6 tp -59.61 -41.87 91.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.189 -0.944 . . . . 0.0 109.22 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.593 HD22 HD11 ' B' ' 195' ' ' LEU . 34.8 tp -61.69 -38.45 87.86 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.29 -0.881 . . . . 0.0 108.941 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -59.39 -40.66 87.27 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.457 HG22 ' NE2' ' A' ' 28' ' ' GLN . 45.6 m -60.57 -42.9 97.6 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.551 -0.718 . . . . 0.0 109.293 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.7 mt -62.36 -53.09 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.296 -0.877 . . . . 0.0 109.453 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -61.73 -38.88 89.55 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.216 -0.927 . . . . 0.0 108.529 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.592 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.87 -30.96 68.54 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.469 -0.769 . . . . 0.0 108.996 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -58.9 -54.41 47.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.243 -0.911 . . . . 0.0 109.538 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -63.02 -41.67 99.6 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.007 -1.058 . . . . 0.0 109.455 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -82.53 -2.79 54.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.319 -0.863 . . . . 0.0 109.9 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.6 tt0 -49.75 -35.27 21.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.241 -0.912 . . . . 0.0 109.75 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.406 HG13 ' H ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -77.64 -40.84 28.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.173 -0.954 . . . . 0.0 109.829 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.76 2.61 51.88 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.406 ' H ' HG13 ' A' ' 63' ' ' ILE . . . 95.97 -8.25 67.71 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -68.01 -45.47 73.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.272 -1.134 . . . . 0.0 109.65 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.2 t -61.37 -31.39 71.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.365 -0.834 . . . . 0.0 109.338 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.26 -31.72 67.69 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.288 -0.882 . . . . 0.0 109.167 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' GLU . . . -55.86 149.51 14.75 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.064 -1.022 . . . . 0.0 109.323 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 69' ' ' ALA . 66.3 mm-40 59.0 115.18 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.45 -0.781 . . . . 0.0 109.899 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 53.08 47.33 24.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.224 -0.922 . . . . 0.0 109.587 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.4 p -60.41 -35.42 75.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.18 -0.95 . . . . 0.0 110.175 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.06 -44.11 97.88 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.938 -1.101 . . . . 0.0 110.054 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -69.11 -43.94 73.44 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.19 -0.944 . . . . 0.0 110.765 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.8 p -64.15 -42.28 96.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.088 -1.007 . . . . 0.0 110.117 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 76' ' ' LEU . 95.3 mt -68.24 -37.67 81.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.298 -0.876 . . . . 0.0 109.84 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -61.02 -45.69 93.78 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.311 -0.868 . . . . 0.0 110.142 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.0 t -68.99 -49.56 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.053 -1.029 . . . . 0.0 110.063 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.496 ' O ' HD12 ' A' ' 83' ' ' ILE . 98.6 mmm -67.78 -46.49 71.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.162 -0.961 . . . . 0.0 110.36 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.597 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 58.3 t-20 -69.35 -46.39 67.11 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.167 -0.958 . . . . 0.0 111.634 -178.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.2 m -65.61 -49.07 70.09 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.037 -1.039 . . . . 0.0 112.071 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.6 mt -70.82 -34.04 71.3 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.912 -1.117 . . . . 0.0 111.347 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 79' ' ' MET . 84.4 mt -79.26 -42.32 23.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 120.839 -1.163 . . . . 0.0 111.332 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.597 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 66.9 m80 -74.75 -47.93 28.47 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.11 -0.994 . . . . 0.0 111.57 -178.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -83.0 112.41 19.74 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.837 -1.164 . . . . 0.0 110.237 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.84 -37.51 84.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.5 -0.75 . . . . 0.0 110.304 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.36 -41.49 93.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.144 -0.973 . . . . 0.0 109.647 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -62.82 -32.15 73.29 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.246 -0.909 . . . . 0.0 108.702 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.08 -44.87 64.85 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.368 -0.832 . . . . 0.0 110.077 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -63.42 -48.81 76.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.003 -1.061 . . . . 0.0 110.511 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.694 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -62.4 -41.16 90.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.018 -1.051 . . . . 0.0 108.596 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.694 ' N ' HD12 ' A' ' 91' ' ' ILE . 67.4 t80 -62.77 -45.6 91.91 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 79.6 mtp -68.0 -40.7 83.0 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.378 -0.826 . . . . 0.0 109.792 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 94' ' ' LEU . 34.2 tp -60.41 -40.39 90.79 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.148 -0.97 . . . . 0.0 108.771 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -62.31 -43.36 99.0 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.411 -0.806 . . . . 0.0 109.245 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.56 ' HE2' HD22 ' A' ' 100' ' ' LEU . 64.3 t80 -64.13 -42.73 96.7 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.503 -0.748 . . . . 0.0 109.595 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.1 p -61.4 -41.88 97.84 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.254 -0.904 . . . . 0.0 109.824 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 95.8 mmm -62.99 -42.59 99.88 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.19 -0.944 . . . . 0.0 109.457 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.9 p -75.31 -38.7 60.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.248 -0.908 . . . . 0.0 109.462 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.56 HD22 ' HE2' ' A' ' 96' ' ' PHE . 29.3 tp -69.01 -43.57 74.53 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.313 -0.867 . . . . 0.0 109.761 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.687 ' CE2' HD11 ' A' ' 105' ' ' LEU . 76.7 t80 -63.21 -45.43 91.73 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.304 -0.872 . . . . 0.0 109.962 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -59.79 -41.83 92.04 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.249 -0.907 . . . . 0.0 109.716 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -61.67 -41.23 97.26 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 109.674 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.582 ' NZ ' ' O ' ' A' ' 120' ' ' SER . 25.8 mttt -61.59 -41.23 97.13 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.113 -0.992 . . . . 0.0 109.933 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.687 HD11 ' CE2' ' A' ' 101' ' ' TYR . 82.4 mt -59.32 -43.2 92.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.054 -1.029 . . . . 0.0 109.089 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -63.16 -38.6 91.8 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.277 -0.89 . . . . 0.0 109.469 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.0 mt-30 -62.22 -40.01 94.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.916 . . . . 0.0 109.979 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.505 HD13 ' CE2' ' A' ' 157' ' ' TYR . 68.2 mt -65.67 -38.43 89.29 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.021 -1.05 . . . . 0.0 109.304 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -78.16 -52.98 7.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.871 . . . . 0.0 110.21 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -83.57 -23.05 32.14 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.39 -0.819 . . . . 0.0 110.503 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -105.51 155.39 16.93 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 110.209 -1.156 . . . . 0.0 110.209 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -67.78 154.12 73.95 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.868 2.379 . . . . 0.0 111.93 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.579 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 23.8 m-90 -89.83 117.31 28.57 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.264 -0.897 . . . . 0.0 109.565 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 88.1 m-20 -135.08 170.08 16.45 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.327 -0.858 . . . . 0.0 109.367 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.7 m -64.15 -32.09 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.223 -0.923 . . . . 0.0 109.526 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.9 mtm -59.52 -38.33 80.71 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.303 -0.873 . . . . 0.0 109.575 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.5 mm? -65.25 -37.92 88.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.168 -0.957 . . . . 0.0 108.957 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -59.87 -42.05 92.87 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.341 -0.849 . . . . 0.0 109.271 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -63.07 -42.28 99.63 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.306 -0.871 . . . . 0.0 109.368 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.582 ' O ' ' NZ ' ' A' ' 104' ' ' LYS . 22.6 m -62.89 -39.85 95.76 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.369 -0.832 . . . . 0.0 109.469 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.434 HD23 HD13 ' A' ' 158' ' ' LEU . 23.6 tp -61.81 -42.23 98.76 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.396 -0.815 . . . . 0.0 109.398 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -60.49 -38.26 83.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.162 -0.961 . . . . 0.0 109.165 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.646 ' SG ' ' NH2' ' A' ' 7' ' ' ARG . 74.0 m -61.8 -44.28 97.18 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.254 -0.904 . . . . 0.0 109.367 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -47.81 82.79 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.211 -0.93 . . . . 0.0 109.499 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.7 mt -60.08 -36.81 69.93 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.148 -0.97 . . . . 0.0 108.711 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.75 -40.63 88.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.306 -0.871 . . . . 0.0 109.269 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.541 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 83.5 mt -62.14 -41.6 98.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.221 -0.924 . . . . 0.0 109.138 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -68.82 -42.6 77.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.306 -0.871 . . . . 0.0 109.905 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.3 t -61.85 -42.97 99.69 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.241 -0.912 . . . . 0.0 110.487 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.541 ' SG ' ' O ' ' A' ' 127' ' ' LEU . 29.3 p -68.75 -49.65 57.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.038 -1.039 . . . . 0.0 110.487 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.515 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 85.5 mt -63.41 -50.48 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 O-C-N 120.962 -1.086 . . . . 0.0 110.393 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 136' ' ' LYS . 90.9 mt -64.68 -38.82 92.3 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -0.892 . . . . 0.0 110.342 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -59.4 -49.52 77.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.115 -0.991 . . . . 0.0 110.177 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 37.4 tp -66.0 -42.78 89.29 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.079 -1.013 . . . . 0.0 109.618 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -87.03 0.08 55.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.394 -0.816 . . . . 0.0 110.344 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.0 OUTLIER -52.73 -36.56 57.78 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.061 -1.024 . . . . 0.0 110.078 -179.297 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -62.45 -25.69 68.11 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.183 -0.948 . . . . 0.0 109.247 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -89.62 -3.66 58.17 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.306 -0.871 . . . . 0.0 109.964 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.7 mm -105.38 141.19 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.218 -0.926 . . . . 0.0 109.376 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 48.9 m -77.33 155.23 32.13 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -54.62 -43.24 72.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.961 -1.087 . . . . 0.0 109.404 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 29.8 m -70.76 -43.29 69.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.941 -1.099 . . . . 0.0 108.714 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 44.0 m -59.08 -37.84 78.07 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.433 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -62.71 -39.0 92.64 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.774 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -57.67 -41.63 81.94 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.499 -0.75 . . . . 0.0 109.226 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 18.8 t -61.91 -50.92 70.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.37 -0.831 . . . . 0.0 109.537 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 51.9 mt -64.79 -43.51 92.96 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.232 -0.917 . . . . 0.0 108.812 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.596 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -64.94 -33.32 75.75 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.094 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -60.18 -45.21 93.9 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.261 -0.9 . . . . 0.0 109.22 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -61.48 -42.6 99.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.135 -0.978 . . . . 0.0 108.619 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 148' ' ' GLN . 89.5 mt -61.2 -39.76 83.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -57.93 -40.05 79.52 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.582 ' HA ' HD12 ' A' ' 156' ' ' ILE . 74.8 t80 -58.4 -43.24 88.48 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' CYS . . . . . 0.587 ' HG ' ' HH ' ' A' ' 101' ' ' TYR . 7.2 m -62.09 -50.51 71.64 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -62.48 -33.94 75.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.333 -0.855 . . . . 0.0 109.442 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 153' ' ' TYR . 17.2 mt -58.03 -49.11 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 O-C-N 121.17 -0.956 . . . . 0.0 110.179 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.579 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 61.8 t80 -63.92 -40.14 95.79 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.05 -1.031 . . . . 0.0 108.306 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.434 HD13 HD23 ' A' ' 121' ' ' LEU . 35.9 tp -59.15 -41.47 88.44 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.675 -0.641 . . . . 0.0 109.543 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 85.6 p -64.35 -38.02 89.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.136 -0.978 . . . . 0.0 109.211 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.505 ' HZ1' ' HA3' ' A' ' 167' ' ' GLY . 51.3 mtmt -62.59 -39.23 93.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.148 -0.97 . . . . 0.0 109.207 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.424 HD21 ' CE2' ' A' ' 157' ' ' TYR . 57.0 mt -63.74 -36.9 85.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.079 -1.013 . . . . 0.0 108.741 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.4 -37.18 84.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.351 -0.843 . . . . 0.0 109.154 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -81.87 -10.51 59.28 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.26 -0.9 . . . . 0.0 109.375 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 90.38 2.58 73.3 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -94.61 140.73 29.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.299 -1.118 . . . . 0.0 109.717 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.415 HG23 ' OH ' ' A' ' 157' ' ' TYR . 35.3 mm -115.78 134.75 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.41 -0.806 . . . . 0.0 109.438 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' GLY . . . . . 0.505 ' HA3' ' HZ1' ' A' ' 160' ' ' LYS . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 177' ' ' VAL . . . . . 0.428 HG22 ' H ' ' B' ' 177' ' ' VAL . 0.2 OUTLIER -67.88 153.88 94.51 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.292 -0.88 . . . . 0.0 109.436 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -58.65 -21.43 55.56 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.658 2.239 . . . . 0.0 112.14 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -96.9 141.01 30.61 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.363 -0.835 . . . . 0.0 109.425 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 74.9 mt -113.34 134.12 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.413 -0.805 . . . . 0.0 109.441 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -88.31 148.68 24.17 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.342 -0.849 . . . . 0.0 109.515 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -61.21 -31.33 71.1 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.279 -0.888 . . . . 0.0 109.451 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -73.72 131.78 41.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.297 -0.877 . . . . 0.0 109.421 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -105.27 139.85 39.3 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.389 -0.819 . . . . 0.0 109.547 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 43.8 t -117.46 136.24 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.427 -0.795 . . . . 0.0 109.495 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -110.16 160.0 16.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.485 -0.76 . . . . 0.0 109.51 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 76.1 t -60.36 -39.47 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.273 -0.892 . . . . 0.0 109.392 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -59.07 -33.73 71.14 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.937 -1.102 . . . . 0.0 109.372 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -58.02 -47.99 81.41 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.344 -0.848 . . . . 0.0 110.563 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 190' ' ' GLU . . . . . 0.433 ' HG2' ' H ' ' B' ' 190' ' ' GLU . 10.8 pt-20 -67.91 -39.49 83.58 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.111 -0.993 . . . . 0.0 109.913 -179.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -57.89 -41.62 82.96 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.838 -1.164 . . . . 0.0 109.18 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.95 -38.59 91.45 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.233 -0.917 . . . . 0.0 109.005 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.49 -40.67 92.18 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.346 -0.846 . . . . 0.0 108.962 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -61.67 -40.09 93.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.407 -0.808 . . . . 0.0 109.194 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 195' ' ' LEU . . . . . 0.593 HD11 HD22 ' A' ' 53' ' ' LEU . 24.6 tp -59.43 -42.51 92.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.259 -0.9 . . . . 0.0 109.092 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.29 90.24 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.259 -0.901 . . . . 0.0 109.173 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 197' ' ' GLN . . . . . 0.458 ' HA ' ' HE ' ' B' ' 200' ' ' ARG . 49.8 tt0 -65.23 -35.83 82.26 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.202 -0.936 . . . . 0.0 109.275 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -62.53 -43.03 99.81 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.25 -0.906 . . . . 0.0 109.272 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 199' ' ' LEU . . . . . 0.589 HD22 HG21 ' A' ' 32' ' ' VAL . 4.1 tp -63.33 -45.09 92.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.287 -0.883 . . . . 0.0 109.602 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 200' ' ' ARG . . . . . 0.458 ' HE ' ' HA ' ' B' ' 197' ' ' GLN . 78.9 mtm180 -60.05 -37.22 79.19 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.144 -0.973 . . . . 0.0 109.022 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.23 80.17 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 23.6 tp -60.49 -39.18 86.76 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.431 -0.793 . . . . 0.0 108.975 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -87.48 -9.78 53.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.364 -0.835 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 CA-C-O 117.975 -1.458 . . . . 0.0 109.522 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.375 0.607 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.818 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -59.56 -36.97 77.22 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.149 -0.97 . . . . 0.0 109.071 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -63.37 -39.84 95.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.209 -0.932 . . . . 0.0 109.186 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -58.16 -44.18 87.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.102 -0.999 . . . . 0.0 108.419 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.69 93.32 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.57 92.5 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.452 -0.78 . . . . 0.0 109.106 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.417 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.33 -42.63 96.05 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.497 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.23 -39.11 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.335 -0.853 . . . . 0.0 109.439 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.85 -39.55 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.248 -0.908 . . . . 0.0 108.692 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.87 91.34 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.388 -0.82 . . . . 0.0 108.919 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -34.05 70.44 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.385 -0.822 . . . . 0.0 108.869 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.561 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -59.04 -46.89 87.08 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.226 -0.921 . . . . 0.0 108.933 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -62.46 -40.46 96.71 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -60.11 -38.73 83.87 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.492 -0.755 . . . . 0.0 109.048 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.11 -44.59 97.12 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.431 -0.793 . . . . 0.0 109.356 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -58.94 -38.93 80.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.0 109.071 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -60.51 -29.72 69.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.473 -0.767 . . . . 0.0 109.418 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 18' ' ' VAL . 63.8 t -83.67 -8.81 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.311 -0.868 . . . . 0.0 109.697 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.39 16.91 56.45 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.435 HD13 ' CE1' ' A' ' 96' ' ' PHE . 68.7 mt -95.58 50.2 1.22 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.273 -1.133 . . . . 0.0 109.026 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.94 -34.66 57.89 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.7 mm -61.63 -52.76 57.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 O-C-N 121.094 -1.239 . . . . 0.0 109.157 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.6 mm -65.64 -41.66 91.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 O-C-N 121.32 -0.862 . . . . 0.0 108.904 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.21 -38.76 93.65 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.649 ' CE1' HD11 ' A' ' 29' ' ' LEU . 59.0 t80 -65.66 -48.41 72.21 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.202 -1.175 . . . . 0.0 110.75 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 67.7 t80 -63.52 -47.37 81.92 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.036 -1.04 . . . . 0.0 110.886 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 27' ' ' LEU . 3.1 pp -68.12 -30.45 69.6 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.858 -1.151 . . . . 0.0 109.183 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.449 ' OE1' ' CD1' ' A' ' 52' ' ' LEU . 8.0 tp-100 -60.1 -41.63 92.95 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.649 HD11 ' CE1' ' A' ' 25' ' ' TYR . 90.9 mt -61.09 -38.07 84.97 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.641 ' CE2' HD21 ' A' ' 34' ' ' LEU . 79.8 t80 -63.81 -38.31 90.63 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.282 -0.886 . . . . 0.0 109.538 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.09 -46.17 90.26 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.152 -0.968 . . . . 0.0 110.419 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.738 HG21 HD22 ' B' ' 199' ' ' LEU . 1.4 p -62.26 -37.1 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.786 -1.196 . . . . 0.0 108.858 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.92 -34.73 75.13 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.89 -1.131 . . . . 0.0 108.638 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.641 HD21 ' CE2' ' A' ' 30' ' ' TYR . 3.8 mm? -65.7 -42.54 91.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.258 -0.901 . . . . 0.0 109.42 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.9 -48.39 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 O-C-N 121.121 -0.987 . . . . 0.0 110.047 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.2 mp -65.97 -35.04 79.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.23 -0.918 . . . . 0.0 109.384 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -81.37 -0.9 43.37 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.913 . . . . 0.0 109.11 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.818 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 84.5 tt0 -90.29 149.7 22.23 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.39 -0.819 . . . . 0.0 109.724 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.14 150.56 17.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.389 -0.819 . . . . 0.0 109.549 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -58.4 133.08 55.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.897 . . . . 0.0 109.869 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.477 ' NH1' ' CB ' ' A' ' 2' ' ' ALA . 67.0 mtp180 -121.85 170.73 9.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.72 -0.612 . . . . 0.0 109.582 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.8 p -57.51 171.35 0.45 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.403 -0.811 . . . . 0.0 110.086 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -56.17 -27.84 55.86 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.636 -0.665 . . . . 0.0 110.878 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -52.03 -41.15 62.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.698 -1.251 . . . . 0.0 109.262 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.581 ' O ' ' SD ' ' A' ' 45' ' ' MET . 4.5 tmm? -66.85 -37.87 85.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.109 -0.995 . . . . 0.0 109.128 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.3 p -61.09 -37.65 83.48 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.26 -0.9 . . . . 0.0 109.192 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.52 -44.85 89.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.271 -0.893 . . . . 0.0 108.723 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.43 -37.22 86.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.345 -0.847 . . . . 0.0 109.105 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.14 94.21 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.129 -0.982 . . . . 0.0 108.761 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -60.88 -40.89 94.73 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.322 -0.861 . . . . 0.0 109.133 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.28 -40.81 95.51 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.267 -0.896 . . . . 0.0 109.576 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.449 ' CD1' ' OE1' ' A' ' 28' ' ' GLN . 3.8 mm? -60.47 -43.59 96.76 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.117 -0.989 . . . . 0.0 109.639 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.56 HD13 HD12 ' A' ' 56' ' ' ILE . 4.0 mm? -61.9 -39.03 90.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.065 -1.022 . . . . 0.0 109.063 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -59.92 -40.58 89.37 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.1 m -60.57 -42.33 96.43 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.6 -0.688 . . . . 0.0 109.536 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.56 HD12 HD13 ' A' ' 53' ' ' LEU . 77.7 mt -58.84 -52.01 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.108 -0.995 . . . . 0.0 108.928 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.588 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.6 mt-10 -61.73 -36.39 80.82 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -65.48 -33.41 75.86 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -58.78 -52.21 66.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 108.802 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -61.37 -38.94 88.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.245 -0.91 . . . . 0.0 108.9 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -82.14 -1.12 47.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.377 -0.827 . . . . 0.0 109.459 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.9 tt0 -48.19 -31.78 6.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.305 -0.872 . . . . 0.0 110.556 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.562 HD11 ' SD ' ' A' ' 79' ' ' MET . 84.8 mt -67.01 -41.34 87.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 120.907 -1.121 . . . . 0.0 109.539 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.9 -5.27 8.06 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.517 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 94.08 -6.58 72.66 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.71 -46.77 80.9 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.153 -1.204 . . . . 0.0 109.696 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 70' ' ' GLU . 17.6 m -65.18 -32.58 74.34 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.195 -0.941 . . . . 0.0 108.784 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.04 -28.33 68.98 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.588 -0.695 . . . . 0.0 109.669 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.34 94.23 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.904 -1.122 . . . . 0.0 110.154 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.5 mt-10 -135.14 145.36 47.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.156 -0.965 . . . . 0.0 109.996 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 48.75 42.49 19.84 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.221 -0.925 . . . . 0.0 109.166 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.7 p -63.82 -37.28 86.78 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.322 -0.861 . . . . 0.0 110.156 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.51 -42.48 98.87 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.082 -1.011 . . . . 0.0 109.87 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -66.93 -46.82 73.58 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.255 -0.903 . . . . 0.0 110.798 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.6 p -65.25 -42.69 93.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.946 -1.096 . . . . 0.0 109.872 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 95.5 mt -68.47 -38.12 80.77 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.354 -0.841 . . . . 0.0 109.956 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -59.97 -45.65 91.99 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.418 -0.801 . . . . 0.0 110.29 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.15 -50.21 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.038 -1.039 . . . . 0.0 109.999 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.562 ' SD ' HD11 ' A' ' 63' ' ' ILE . 88.2 mtp -68.61 -46.33 69.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.945 . . . . 0.0 110.618 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.544 ' OD1' ' CE1' ' A' ' 84' ' ' HIS . 14.4 t30 -65.23 -45.26 85.34 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.197 -0.939 . . . . 0.0 111.042 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.9 m -68.42 -49.03 62.92 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.135 -0.978 . . . . 0.0 111.917 -178.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 60.8 mt -72.76 -33.89 66.64 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.851 -1.156 . . . . 0.0 111.581 -178.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.5 mt -79.04 -42.4 23.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 120.867 -1.145 . . . . 0.0 111.09 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.544 ' CE1' ' OD1' ' A' ' 80' ' ' ASN . 80.6 m80 -75.91 -48.18 22.36 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.995 -1.065 . . . . 0.0 110.854 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -82.85 106.27 14.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.853 -1.155 . . . . 0.0 109.776 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.62 -35.66 78.52 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.403 -0.811 . . . . 0.0 109.929 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.66 -43.44 93.94 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.158 -0.964 . . . . 0.0 109.745 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -62.46 -35.85 80.59 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.46 -38.93 71.24 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.181 -0.949 . . . . 0.0 109.51 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -58.48 -48.47 80.67 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.228 -0.92 . . . . 0.0 110.747 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.075 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -72.51 -37.95 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.841 -1.162 . . . . 0.0 109.117 -179.495 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 1.075 ' N ' HD13 ' A' ' 91' ' ' ILE . 59.5 t80 -62.14 -44.44 96.62 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.999 -1.063 . . . . 0.0 108.156 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 69.9 mtm -69.59 -39.28 77.4 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.511 -0.743 . . . . 0.0 109.501 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.438 ' O ' ' OG1' ' A' ' 97' ' ' THR . 34.0 tp -61.47 -41.98 98.08 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 121.179 -0.951 . . . . 0.0 109.425 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -63.22 -43.72 97.29 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.222 -0.924 . . . . 0.0 109.537 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.435 ' CE1' HD13 ' A' ' 20' ' ' LEU . 79.4 t80 -62.53 -42.96 99.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.242 -0.911 . . . . 0.0 109.662 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 93' ' ' MET . 66.2 p -58.43 -43.2 88.65 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.265 -0.897 . . . . 0.0 109.849 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 89.2 mtp -63.0 -43.52 98.56 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.21 -0.931 . . . . 0.0 109.373 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.2 p -71.74 -37.65 70.53 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.238 -0.914 . . . . 0.0 109.178 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.0 tp -64.82 -41.91 95.38 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.282 -0.886 . . . . 0.0 109.152 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.748 ' CE2' HD11 ' A' ' 105' ' ' LEU . 90.1 t80 -61.71 -43.07 99.57 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.4 -0.812 . . . . 0.0 109.811 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -58.54 -41.59 85.89 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.186 -0.947 . . . . 0.0 109.439 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.84 -40.82 96.64 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.347 -0.845 . . . . 0.0 109.621 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -61.74 -40.88 96.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.151 -0.968 . . . . 0.0 109.68 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.748 HD11 ' CE2' ' A' ' 101' ' ' TYR . 80.5 mt -58.51 -45.41 88.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.134 -0.979 . . . . 0.0 108.86 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -61.19 -38.62 87.2 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.135 -0.978 . . . . 0.0 109.613 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -62.5 -41.03 98.54 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.24 -0.912 . . . . 0.0 109.985 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.796 HD13 ' CE2' ' A' ' 157' ' ' TYR . 74.5 mt -65.41 -37.86 88.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.119 -0.988 . . . . 0.0 109.062 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -78.03 -53.04 7.87 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.568 -0.707 . . . . 0.0 110.34 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -82.89 -22.97 33.78 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.44 -0.787 . . . . 0.0 110.438 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.73 155.22 17.82 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -69.03 154.18 71.05 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.807 2.338 . . . . 0.0 111.908 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.572 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 13.8 m-90 -90.51 112.97 24.84 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.256 -0.903 . . . . 0.0 109.761 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.2 m-20 -135.14 173.42 11.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.384 -0.823 . . . . 0.0 109.183 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.458 ' H ' HG13 ' A' ' 115' ' ' VAL . 2.2 m -62.3 -33.1 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.135 -0.978 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.415 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.0 mtm -60.23 -38.03 82.13 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.325 -0.859 . . . . 0.0 109.462 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.6 mm? -64.51 -39.11 93.17 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.125 -0.985 . . . . 0.0 109.155 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -59.66 -42.13 92.16 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.228 -0.92 . . . . 0.0 109.158 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -62.43 -39.24 92.69 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.382 -0.824 . . . . 0.0 109.532 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.6 m -62.01 -40.89 97.23 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.319 -0.863 . . . . 0.0 109.86 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.523 HD12 HD13 ' A' ' 158' ' ' LEU . 78.3 mt -63.66 -41.45 98.2 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.262 -0.899 . . . . 0.0 109.457 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -60.81 -37.91 83.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.118 -0.989 . . . . 0.0 109.461 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 77.9 m -63.1 -46.11 88.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.219 -0.926 . . . . 0.0 109.691 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 80.1 m -62.65 -46.28 88.95 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.122 -0.986 . . . . 0.0 109.736 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.51 -38.08 76.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.223 -0.923 . . . . 0.0 109.112 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.561 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 89.9 m-20 -61.56 -40.8 96.04 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.355 -0.84 . . . . 0.0 109.847 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.48 -44.0 97.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.155 -0.966 . . . . 0.0 109.768 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.631 ' CD1' HD11 ' A' ' 151' ' ' ILE . 31.1 t80 -70.89 -43.04 69.18 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.274 -0.891 . . . . 0.0 109.748 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.1 p -65.46 -34.76 79.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.871 . . . . 0.0 110.053 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' A' ' 126' ' ' ASP . 73.0 m -68.45 -49.69 58.06 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.111 -0.993 . . . . 0.0 109.72 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 82.9 mt -66.93 -47.74 81.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 O-C-N 121.184 -0.948 . . . . 0.0 109.719 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.585 ' O ' ' N ' ' A' ' 136' ' ' LYS . 42.9 tp -61.82 -39.86 93.27 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.392 -0.818 . . . . 0.0 109.872 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -59.84 -49.38 77.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.162 -0.961 . . . . 0.0 109.956 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 34.2 tp -65.58 -42.24 91.96 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.184 -0.948 . . . . 0.0 109.648 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -86.76 -3.27 59.03 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.363 -0.835 . . . . 0.0 110.274 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.585 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -49.8 -38.94 36.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.171 -0.955 . . . . 0.0 109.787 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -64.19 -26.0 68.32 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.193 -0.942 . . . . 0.0 109.428 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -89.66 -3.63 58.15 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.204 -0.935 . . . . 0.0 110.369 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.5 mm -104.92 147.3 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.101 -0.999 . . . . 0.0 109.169 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 55.2 p -77.18 155.36 32.31 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -0.908 . . . . 0.0 109.081 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -58.12 -38.59 76.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.162 -0.961 . . . . 0.0 109.835 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 41.5 m -74.13 -45.22 50.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.811 -1.18 . . . . 0.0 109.61 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 33.1 t -63.32 -45.63 90.41 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.179 -0.95 . . . . 0.0 109.784 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.579 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.8 OUTLIER -63.53 -39.06 93.43 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.002 -1.061 . . . . 0.0 108.747 179.572 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ASN . . . . . 0.428 ' N ' ' CG2' ' A' ' 144' ' ' THR . 13.0 t-20 -55.73 -42.73 75.78 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.293 -0.879 . . . . 0.0 108.908 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.3 m -61.48 -42.96 99.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.301 -0.874 . . . . 0.0 109.192 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 54.5 mt -61.69 -39.12 90.32 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.609 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -62.36 -35.64 79.77 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.007 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -61.85 -39.75 92.93 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.292 -0.88 . . . . 0.0 109.246 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -62.15 -42.65 99.46 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.078 -1.014 . . . . 0.0 108.288 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.631 HD11 ' CD1' ' A' ' 128' ' ' PHE . 92.4 mt -65.4 -38.42 82.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -58.46 -40.86 83.8 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.581 ' HA ' HD12 ' A' ' 156' ' ' ILE . 71.5 t80 -58.55 -43.15 89.22 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' CYS . . . . . 0.668 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 28.7 m -62.03 -50.27 72.69 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -63.38 -33.45 75.57 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.402 -0.811 . . . . 0.0 109.516 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 153' ' ' TYR . 14.6 mt -57.93 -48.81 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 O-C-N 121.21 -0.931 . . . . 0.0 109.813 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.796 ' CE2' HD13 ' A' ' 108' ' ' LEU . 73.2 t80 -63.7 -42.26 98.01 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.523 HD13 HD12 ' A' ' 121' ' ' LEU . 40.6 tp -60.79 -41.34 95.41 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.722 -0.611 . . . . 0.0 109.414 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.4 t -62.81 -40.86 98.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.301 -0.875 . . . . 0.0 109.663 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -61.43 -39.06 89.39 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.108 -0.995 . . . . 0.0 109.144 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.513 HD11 ' CE2' ' A' ' 157' ' ' TYR . 8.9 mp -64.58 -35.95 82.65 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.162 -0.961 . . . . 0.0 108.85 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.18 -37.23 84.49 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.338 -0.851 . . . . 0.0 108.947 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -81.85 -10.75 59.22 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.31 -0.869 . . . . 0.0 109.266 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.45 -0.47 71.2 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.8 143.56 26.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.192 -1.181 . . . . 0.0 109.756 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.416 ' O ' ' O ' ' A' ' 167' ' ' GLY . 40.8 mm -117.93 135.92 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.531 -0.73 . . . . 0.0 109.348 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 166' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.272 0 CA-C-O 117.998 -1.445 . . . . 0.0 109.564 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.67 154.91 43.77 Favored Pre-proline 0 N--CA 1.49 1.535 0 O-C-N 121.43 -0.794 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -58.85 145.56 96.28 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.585 2.19 . . . . 0.0 112.182 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.86 144.18 39.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.252 -0.905 . . . . 0.0 109.439 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 180' ' ' ILE . . . . . 0.676 HG22 ' HG3' ' B' ' 181' ' ' LYS . 69.7 mt -113.92 136.51 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.51 -0.744 . . . . 0.0 109.408 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 181' ' ' LYS . . . . . 0.676 ' HG3' HG22 ' B' ' 180' ' ' ILE . 23.5 mttm 57.68 46.79 16.8 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.496 -0.752 . . . . 0.0 109.544 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -60.7 -32.2 71.45 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.222 -0.924 . . . . 0.0 109.399 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -57.59 -36.16 71.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.319 -0.863 . . . . 0.0 109.406 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -95.43 140.48 30.24 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.222 -0.924 . . . . 0.0 109.536 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 185' ' ' VAL . . . . . 0.483 HG12 ' H ' ' B' ' 187' ' ' VAL . 43.7 t -110.78 142.41 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.438 -0.789 . . . . 0.0 109.433 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -48.95 -36.64 17.91 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.303 -0.873 . . . . 0.0 109.394 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 187' ' ' VAL . . . . . 0.483 ' H ' HG12 ' B' ' 185' ' ' VAL . 76.0 t -62.77 -42.01 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.214 -0.929 . . . . 0.0 109.294 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -61.36 -35.22 76.85 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.007 -1.058 . . . . 0.0 109.561 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -58.76 -46.55 87.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.313 -0.867 . . . . 0.0 110.571 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 190' ' ' GLU . . . . . 0.427 ' HG2' ' H ' ' B' ' 190' ' ' GLU . 12.5 pt-20 -69.22 -40.86 77.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.182 -0.949 . . . . 0.0 110.473 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -58.95 -41.67 87.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.773 -1.205 . . . . 0.0 109.422 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.54 -39.17 91.43 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.191 -0.943 . . . . 0.0 109.095 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -63.17 -39.49 94.8 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.305 -0.872 . . . . 0.0 109.105 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -60.65 -43.68 97.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.332 -0.855 . . . . 0.0 109.357 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.15 -42.38 98.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.26 -0.9 . . . . 0.0 109.127 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.93 92.25 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.258 -0.901 . . . . 0.0 109.077 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.37 -35.45 81.01 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.228 -0.92 . . . . 0.0 109.107 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 198' ' ' ARG . . . . . 0.588 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 59.9 ttt-85 -61.13 -43.4 98.95 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.235 -0.915 . . . . 0.0 109.131 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 199' ' ' LEU . . . . . 0.738 HD22 HG21 ' A' ' 32' ' ' VAL . 5.5 tp -61.48 -44.28 97.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.359 -0.838 . . . . 0.0 108.891 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -59.17 -37.6 77.74 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.61 -34.81 78.71 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 202' ' ' LEU . . . . . 0.55 ' CD2' HG21 ' A' ' 56' ' ' ILE . 6.7 tp -59.24 -39.3 82.32 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.453 -0.78 . . . . 0.0 108.914 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -97.02 -0.44 47.3 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.393 -0.817 . . . . 0.0 109.472 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.322 0.582 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.15 78.55 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.202 -0.936 . . . . 0.0 109.066 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -64.02 -38.39 90.89 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.257 -0.902 . . . . 0.0 109.355 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -58.82 -41.21 86.3 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.994 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.83 -39.47 94.31 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.62 95.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.393 -0.817 . . . . 0.0 109.64 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.42 ' CZ ' ' SG ' ' A' ' 123' ' ' CYS . 0.0 OUTLIER -60.43 -42.48 96.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.05 -1.031 . . . . 0.0 108.564 179.732 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' CG1' HD13 ' A' ' 27' ' ' LEU . 55.7 t -62.75 -36.67 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.403 -0.81 . . . . 0.0 109.224 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 5' ' ' ALA . 79.0 t -60.52 -39.29 80.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.229 -0.919 . . . . 0.0 108.643 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.5 -45.17 84.61 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.275 -0.89 . . . . 0.0 109.056 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -32.69 74.35 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.491 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -60.0 -43.29 95.28 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.336 -0.853 . . . . 0.0 108.899 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -61.46 -40.97 96.42 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.78 -39.0 83.43 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.425 -0.797 . . . . 0.0 108.908 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -61.26 -42.43 98.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.401 -0.812 . . . . 0.0 109.174 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.82 -38.73 79.31 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.253 -0.905 . . . . 0.0 108.86 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -59.93 -30.85 69.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.499 -0.751 . . . . 0.0 109.08 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 18' ' ' VAL . 65.6 t -84.1 -8.72 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.446 -0.784 . . . . 0.0 109.644 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.49 17.1 55.86 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.5 mt -95.72 48.7 1.14 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -1.052 . . . . 0.0 108.953 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.0 -27.9 62.93 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.3 mm -58.17 -54.85 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 120.871 -1.37 . . . . 0.0 109.945 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.8 mp -65.76 -35.07 74.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.093 -1.004 . . . . 0.0 109.451 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.96 -42.64 96.93 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.701 ' CE2' HD11 ' A' ' 29' ' ' LEU . 75.8 t80 -65.01 -48.77 72.73 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.034 -1.274 . . . . 0.0 110.46 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.443 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 71.5 m-85 -72.08 -41.01 67.85 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.072 -1.018 . . . . 0.0 110.798 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.743 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -67.87 -36.41 80.21 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.808 -1.183 . . . . 0.0 109.404 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.452 ' NE2' HD11 ' A' ' 52' ' ' LEU . 19.5 mm100 -64.41 -39.72 94.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.895 -1.128 . . . . 0.0 108.924 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.701 HD11 ' CE2' ' A' ' 25' ' ' TYR . 51.1 mt -60.17 -38.43 83.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.124 -0.985 . . . . 0.0 108.358 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -65.93 -36.05 82.29 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.28 -0.887 . . . . 0.0 109.264 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.05 -46.02 92.38 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.267 -0.896 . . . . 0.0 110.231 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.541 HG21 HD22 ' B' ' 199' ' ' LEU . 1.5 p -64.7 -44.41 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 120.823 -1.173 . . . . 0.0 108.894 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -61.08 -34.66 75.27 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.98 -1.075 . . . . 0.0 108.646 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.994 HD23 ' HB2' ' A' ' 5' ' ' ALA . 37.6 tp -63.96 -44.59 92.3 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.321 -0.862 . . . . 0.0 109.809 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.28 -43.05 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.228 -0.92 . . . . 0.0 110.085 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mp -61.16 -31.94 71.67 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.35 -0.844 . . . . 0.0 109.446 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.9 p -71.52 -23.95 61.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.162 -0.961 . . . . 0.0 109.335 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.92 150.89 48.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.345 -0.847 . . . . 0.0 109.764 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.14 151.43 12.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.324 -0.86 . . . . 0.0 109.013 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -56.93 136.56 55.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.192 -0.943 . . . . 0.0 109.926 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -122.35 170.97 9.41 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.5 m -57.0 170.46 0.44 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.29 -0.881 . . . . 0.0 109.753 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -55.92 -26.17 46.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.551 -0.718 . . . . 0.0 110.842 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.25 -41.86 63.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.728 -1.232 . . . . 0.0 109.328 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.577 ' O ' ' SD ' ' A' ' 45' ' ' MET . 8.4 tmm? -66.14 -38.64 88.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.091 -1.006 . . . . 0.0 108.797 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.5 m -59.53 -40.19 86.39 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.331 -0.855 . . . . 0.0 109.306 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.45 99.62 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.361 -0.837 . . . . 0.0 108.997 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.07 -36.73 84.98 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.413 -0.804 . . . . 0.0 109.319 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.44 98.21 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.255 -0.903 . . . . 0.0 109.187 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.6 m -61.83 -41.4 97.75 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.374 -0.829 . . . . 0.0 109.443 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.6 -41.92 98.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.262 -0.899 . . . . 0.0 109.528 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.463 HD23 ' HB ' ' A' ' 32' ' ' VAL . 32.5 tp -60.21 -42.26 94.77 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.15 -0.969 . . . . 0.0 109.379 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.69 HD12 HD12 ' A' ' 56' ' ' ILE . 42.4 tp -61.4 -38.93 88.86 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.137 -0.977 . . . . 0.0 108.819 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -59.79 -39.26 84.37 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 59' ' ' PHE . 46.0 m -60.21 -41.97 94.13 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.564 -0.71 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.69 HD12 HD12 ' A' ' 53' ' ' LEU . 91.9 mt -58.56 -51.96 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.17 -0.956 . . . . 0.0 108.948 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.527 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.7 mt-10 -63.03 -36.67 84.34 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 178.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.604 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -68.56 -31.37 70.54 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' THR . 58.6 t80 -58.71 -54.05 51.48 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.182 -0.949 . . . . 0.0 109.266 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -61.44 -43.72 98.37 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.116 -0.99 . . . . 0.0 109.511 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -83.19 -1.98 54.39 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.391 -0.818 . . . . 0.0 110.422 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.604 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.7 tt0 -48.93 -35.7 15.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.028 -1.045 . . . . 0.0 110.05 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.541 HD11 ' SD ' ' A' ' 79' ' ' MET . 89.1 mt -68.97 -40.95 81.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.081 -1.012 . . . . 0.0 109.916 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.28 -5.43 72.59 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.37 -5.72 82.62 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -66.24 -47.0 75.2 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.125 -1.221 . . . . 0.0 109.903 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m -67.17 -34.23 77.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.233 -0.917 . . . . 0.0 109.192 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' ALA . 96.9 mt-10 -61.92 -29.75 70.43 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.517 -0.739 . . . . 0.0 109.835 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -40.0 -36.08 0.44 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 0.0 109.879 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -111.85 131.82 55.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.445 -0.784 . . . . 0.0 109.149 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 51.82 47.1 25.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 109.216 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 t -57.46 -39.21 75.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.866 . . . . 0.0 110.371 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.483 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 90.8 m-20 -59.71 -43.05 94.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.087 -1.008 . . . . 0.0 110.328 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -65.94 -42.02 90.55 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.133 -0.979 . . . . 0.0 110.386 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.6 p -65.2 -42.66 93.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.015 -1.053 . . . . 0.0 109.997 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.417 ' HB3' ' ND2' ' A' ' 80' ' ' ASN . 96.3 mt -68.4 -37.98 80.87 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.322 -0.861 . . . . 0.0 109.833 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 4.6 m-70 -60.19 -45.2 93.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.281 -0.887 . . . . 0.0 110.448 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.48 -49.8 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.167 -0.958 . . . . 0.0 110.404 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.541 ' SD ' HD11 ' A' ' 63' ' ' ILE . 88.6 mtp -68.13 -46.64 70.3 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.137 -0.977 . . . . 0.0 110.959 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.439 ' HA ' ' HD1' ' A' ' 84' ' ' HIS . 87.5 m-20 -67.81 -40.24 83.87 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.978 -1.076 . . . . 0.0 111.146 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.488 HG22 ' HD2' ' A' ' 88' ' ' LYS . 90.0 m -69.22 -49.92 52.04 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.053 -1.029 . . . . 0.0 111.887 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.4 mt -74.51 -33.93 62.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.821 -1.174 . . . . 0.0 111.56 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.3 mt -77.08 -35.63 23.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 120.834 -1.166 . . . . 0.0 111.025 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.439 ' HD1' ' HA ' ' A' ' 80' ' ' ASN . 77.3 m80 -89.7 -30.89 17.76 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.869 -1.144 . . . . 0.0 111.167 -178.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -85.64 108.79 18.17 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.747 -1.22 . . . . 0.0 109.737 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -62.09 -39.22 91.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.515 -0.741 . . . . 0.0 111.175 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.69 -47.64 80.36 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.96 -1.088 . . . . 0.0 110.574 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.488 ' HD2' HG22 ' A' ' 81' ' ' THR . 69.3 mttm -63.23 -32.69 74.16 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.131 -0.981 . . . . 0.0 108.991 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB1' ' CE2' ' A' ' 26' ' ' TYR . . . -66.61 -44.9 80.83 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.332 -0.855 . . . . 0.0 110.221 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.605 ' HZ2' ' CB ' ' A' ' 135' ' ' TRP . 16.6 tttp -63.52 -48.34 77.94 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.973 -1.079 . . . . 0.0 111.215 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.085 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -65.25 -38.66 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.67 -1.269 . . . . 0.0 109.206 -178.816 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 1.085 ' N ' HD13 ' A' ' 91' ' ' ILE . 45.0 t80 -63.34 -43.46 97.65 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.6 mtp -70.42 -42.6 71.4 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.598 -0.689 . . . . 0.0 109.65 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -61.58 -39.03 89.69 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.723 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -60.85 -45.74 93.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.378 -0.826 . . . . 0.0 109.679 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.756 ' CE2' HD11 ' A' ' 100' ' ' LEU . 75.0 t80 -65.29 -47.2 77.45 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.275 -0.891 . . . . 0.0 109.824 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.1 p -60.99 -40.17 92.44 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.251 -0.906 . . . . 0.0 109.748 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.1 ttp -60.36 -40.14 89.69 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.179 -0.95 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.0 p -64.93 -36.25 83.77 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.315 -0.866 . . . . 0.0 109.654 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.756 HD11 ' CE2' ' A' ' 96' ' ' PHE . 87.4 mt -66.82 -40.3 87.99 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.152 -0.967 . . . . 0.0 109.827 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.43 ' OH ' ' CD2' ' A' ' 153' ' ' TYR . 78.1 t80 -61.42 -48.71 79.96 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.961 -1.087 . . . . 0.0 109.681 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -67.67 -45.74 74.35 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.31 -0.869 . . . . 0.0 110.519 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -65.13 -46.79 79.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.124 -0.985 . . . . 0.0 110.422 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -65.35 -37.1 86.03 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.017 -1.052 . . . . 0.0 109.312 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.7 tp -55.96 -50.51 70.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 0.0 109.499 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -62.14 -39.26 91.98 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.113 -0.992 . . . . 0.0 110.101 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.597 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.2 mt-30 -60.42 -40.48 91.17 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.146 -0.971 . . . . 0.0 109.963 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.412 ' HB3' ' HE1' ' A' ' 113' ' ' TRP . 85.0 mt -66.42 -37.79 86.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.959 -1.088 . . . . 0.0 109.41 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -75.94 -52.74 9.63 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.373 -0.83 . . . . 0.0 110.313 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -86.12 -22.88 26.85 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.362 -0.836 . . . . 0.0 110.612 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -101.45 155.18 18.98 Favored Glycine 0 N--CA 1.494 2.532 0 C-N-CA 119.666 -1.254 . . . . 0.0 110.272 -179.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -69.28 154.37 69.73 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.942 2.428 . . . . 0.0 112.054 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.422 ' CZ3' HG21 ' A' ' 166' ' ' ILE . 26.4 m-90 -92.81 123.92 36.43 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.099 -1.001 . . . . 0.0 109.631 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -134.43 164.37 27.6 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.298 -0.876 . . . . 0.0 108.979 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.419 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.2 m -62.16 -33.1 56.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.073 -1.017 . . . . 0.0 109.146 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.419 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.6 mtm -60.48 -42.86 97.13 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.386 -0.821 . . . . 0.0 109.443 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.55 -37.56 87.06 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.329 -0.857 . . . . 0.0 109.375 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.563 ' HE3' HD13 ' A' ' 161' ' ' LEU . 49.5 mttp -57.97 -44.42 87.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.285 -0.884 . . . . 0.0 109.031 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -62.67 -38.7 91.36 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.401 -0.812 . . . . 0.0 109.186 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.1 m -61.82 -40.02 93.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.346 -0.846 . . . . 0.0 109.665 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.42 -41.29 96.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.219 -0.926 . . . . 0.0 109.601 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.7 ' CE2' HD13 ' A' ' 158' ' ' LEU . 63.0 m95 -60.83 -39.5 89.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.098 -1.001 . . . . 0.0 109.583 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.42 ' SG ' ' CZ ' ' A' ' 7' ' ' ARG . 73.9 m -62.33 -43.9 97.75 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.115 -0.99 . . . . 0.0 108.909 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 75.1 m -58.96 -45.4 90.6 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.233 -0.917 . . . . 0.0 109.026 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 95.4 mt -60.61 -36.86 73.14 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 O-C-N 121.331 -0.855 . . . . 0.0 109.261 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -58.6 -41.63 86.27 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.278 -0.889 . . . . 0.0 109.014 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.445 HD12 ' N ' ' A' ' 127' ' ' LEU . 7.6 mp -63.25 -42.62 99.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.112 -0.993 . . . . 0.0 109.099 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -64.66 -42.49 95.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.15 -0.968 . . . . 0.0 109.394 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.8 p -65.71 -35.44 80.77 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.292 -0.88 . . . . 0.0 109.657 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -49.88 53.97 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.114 -0.991 . . . . 0.0 109.509 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.568 HG23 ' CE3' ' A' ' 135' ' ' TRP . 77.9 mt -66.84 -45.33 87.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.382 -0.824 . . . . 0.0 109.461 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 16.8 tp -60.71 -41.45 95.24 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.315 -0.865 . . . . 0.0 110.202 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -66.95 -49.55 65.13 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.14 -0.975 . . . . 0.0 111.088 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.65 -46.27 83.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.966 -1.084 . . . . 0.0 110.635 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.605 ' CB ' ' HZ2' ' A' ' 90' ' ' LYS . 5.0 m-90 -87.49 4.94 41.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.168 -0.957 . . . . 0.0 110.479 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -43.18 36.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.047 -1.033 . . . . 0.0 109.893 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.39 -21.71 64.68 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.213 -0.93 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 135' ' ' TRP . 15.9 m120 -89.57 -4.76 57.72 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.267 -0.895 . . . . 0.0 110.447 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.1 mt -111.72 143.86 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.88 . . . . 0.0 109.856 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.498 ' N ' ' OG ' ' A' ' 143' ' ' SER . 54.6 p -77.73 155.71 31.07 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.4 -0.812 . . . . 0.0 109.517 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.23 -43.16 87.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.21 -0.931 . . . . 0.0 109.835 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 31.0 m -69.89 -43.93 70.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.837 -1.164 . . . . 0.0 108.629 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' A' ' 140' ' ' SER . 79.9 p -60.3 -32.89 71.64 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.26 -38.81 91.47 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 178.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -56.49 -42.82 78.96 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.495 -0.753 . . . . 0.0 109.145 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.3 t -62.53 -51.11 68.71 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.431 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 52.5 mt -64.42 -40.98 96.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.285 -0.884 . . . . 0.0 108.899 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.805 HE21 ' CA ' ' A' ' 148' ' ' GLN . 0.0 OUTLIER -65.75 -33.25 75.43 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.19 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.98 -45.1 93.83 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.399 -0.813 . . . . 0.0 109.135 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -62.84 -41.95 99.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.177 -0.952 . . . . 0.0 108.64 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.9 -38.55 80.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -58.35 -40.34 81.96 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.459 ' HA ' HD12 ' A' ' 156' ' ' ILE . 71.4 t80 -58.33 -43.2 88.13 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 97.7 m -64.66 -50.15 68.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.376 -0.827 . . . . 0.0 108.836 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -60.65 -36.03 77.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.291 -0.881 . . . . 0.0 108.857 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 153' ' ' TYR . 17.2 mt -58.52 -43.76 87.7 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 O-C-N 121.398 -0.814 . . . . 0.0 109.731 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.28 -43.75 97.03 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.256 -0.903 . . . . 0.0 109.489 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.7 HD13 ' CE2' ' A' ' 122' ' ' TRP . 80.9 mt -59.95 -38.94 83.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.175 -0.953 . . . . 0.0 109.627 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.0 m -63.16 -43.84 97.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.119 -0.988 . . . . 0.0 109.948 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.463 ' HZ1' ' HA3' ' A' ' 167' ' ' GLY . 54.2 mtmt -62.07 -39.45 92.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.124 -0.985 . . . . 0.0 109.601 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.563 HD13 ' HE3' ' A' ' 118' ' ' LYS . 99.0 mt -63.05 -36.65 84.28 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.178 -0.951 . . . . 0.0 109.083 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.11 -37.44 87.46 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.27 -0.894 . . . . 0.0 109.133 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -82.88 -7.74 59.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.253 -0.905 . . . . 0.0 109.317 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.84 5.84 73.4 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.659 -1.377 . . . . 0.0 109.659 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.56 144.81 25.28 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.269 -1.136 . . . . 0.0 109.752 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.422 HG21 ' CZ3' ' A' ' 113' ' ' TRP . 35.3 mm -115.72 135.22 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.511 -0.743 . . . . 0.0 109.383 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' GLY . . . . . 0.463 ' HA3' ' HZ1' ' A' ' 160' ' ' LYS . . . . . . . . 0 N--CA 1.491 2.317 0 CA-C-O 117.967 -1.463 . . . . 0.0 109.524 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -67.91 153.84 94.6 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.283 -0.886 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -59.3 145.1 98.9 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.59 2.193 . . . . 0.0 112.199 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -101.6 140.87 35.3 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.252 -0.905 . . . . 0.0 109.402 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 83.8 mt -55.79 -41.77 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.234 -0.916 . . . . 0.0 109.531 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -59.38 -35.52 74.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.26 -0.9 . . . . 0.0 109.44 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -62.61 -33.13 74.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.196 -0.94 . . . . 0.0 109.651 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -78.27 130.34 36.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.266 -0.896 . . . . 0.0 109.48 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -110.12 142.51 41.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.447 -0.783 . . . . 0.0 109.628 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 42.7 t -110.46 136.39 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.433 -0.792 . . . . 0.0 109.231 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -73.99 156.11 37.89 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.151 -0.968 . . . . 0.0 109.651 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 187' ' ' VAL . . . . . 0.504 HG12 ' NZ ' ' B' ' 191' ' ' LYS . 59.6 t -67.18 -36.75 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.41 -0.807 . . . . 0.0 109.275 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.84 -33.31 64.38 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.078 -1.014 . . . . 0.0 109.865 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -55.79 -49.6 72.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.148 -0.97 . . . . 0.0 110.377 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.18 -38.33 78.61 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.105 -0.997 . . . . 0.0 109.841 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 191' ' ' LYS . . . . . 0.504 ' NZ ' HG12 ' B' ' 187' ' ' VAL . 22.7 mttp -57.87 -41.05 81.64 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.864 -1.148 . . . . 0.0 109.337 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.34 -39.99 89.55 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.123 -0.986 . . . . 0.0 109.333 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.69 -41.25 94.76 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.274 -0.891 . . . . 0.0 108.947 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -62.27 -40.18 95.36 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.342 -0.849 . . . . 0.0 109.313 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 195' ' ' LEU . . . . . 0.559 HD11 HD23 ' A' ' 53' ' ' LEU . 22.1 tp -58.04 -42.44 85.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.362 -0.836 . . . . 0.0 109.213 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.67 90.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.258 -0.901 . . . . 0.0 109.228 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -65.32 -35.57 81.38 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.226 -0.922 . . . . 0.0 109.251 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 198' ' ' ARG . . . . . 0.527 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 73.2 ttt180 -60.58 -42.82 97.44 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.254 -0.904 . . . . 0.0 109.089 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 199' ' ' LEU . . . . . 0.541 HD22 HG21 ' A' ' 32' ' ' VAL . 6.4 tp -61.86 -45.3 94.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 0.0 109.076 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -60.91 -37.08 81.0 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.334 -0.854 . . . . 0.0 109.221 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.96 -37.53 86.23 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.269 -0.895 . . . . 0.0 108.857 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 202' ' ' LEU . . . . . 0.571 ' CD2' HG21 ' A' ' 56' ' ' ILE . 9.6 tp -60.98 -38.49 86.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.356 -0.84 . . . . 0.0 109.067 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -87.59 -8.49 56.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.26 -0.9 . . . . 0.0 109.482 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 117.995 -1.447 . . . . 0.0 109.532 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mtp . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.345 0.593 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.501 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . . . -59.2 -39.88 84.02 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.135 -0.978 . . . . 0.0 109.178 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.7 p -64.03 -37.93 89.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.286 -0.884 . . . . 0.0 109.101 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -58.59 -39.35 80.12 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.936 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.53 -39.68 94.21 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.25 -42.97 96.43 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.475 -0.766 . . . . 0.0 109.379 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.426 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.44 -41.29 93.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.168 -0.958 . . . . 0.0 108.803 179.565 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.527 ' CG1' HD13 ' A' ' 27' ' ' LEU . 46.8 t -63.86 -38.16 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.402 -0.811 . . . . 0.0 109.676 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 77.8 t -60.45 -39.79 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.219 -0.926 . . . . 0.0 108.695 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.46 94.91 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.347 -0.845 . . . . 0.0 108.848 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -33.75 72.11 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.657 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -57.27 -44.96 84.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.219 -0.926 . . . . 0.0 108.65 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -64.01 -41.16 97.56 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.432 -0.792 . . . . 0.0 109.224 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -59.73 -43.56 94.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.332 -0.855 . . . . 0.0 109.767 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.89 -41.28 97.7 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.349 -0.844 . . . . 0.0 109.587 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.492 ' OD2' ' OE1' ' A' ' 62' ' ' GLU . 55.4 t0 -58.92 -37.96 77.86 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.14 -0.975 . . . . 0.0 108.887 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -60.67 -31.0 70.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.44 -0.787 . . . . 0.0 109.204 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 18' ' ' VAL . 45.9 t -84.24 -2.49 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.325 -0.859 . . . . 0.0 109.573 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.3 8.36 68.55 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.4 mt -95.86 33.62 1.65 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.508 -0.995 . . . . 0.0 109.041 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.71 -31.8 16.33 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.4 mm -58.69 -49.06 83.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 121.112 -1.228 . . . . 0.0 109.396 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.6 mm -64.45 -45.14 96.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.21 -0.932 . . . . 0.0 109.011 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.591 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.11 -36.56 89.09 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.752 ' CE2' HD11 ' A' ' 29' ' ' LEU . 69.2 t80 -64.79 -48.0 76.04 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.379 -1.071 . . . . 0.0 111.086 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.6 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 78.9 t80 -62.84 -47.43 83.44 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.968 -1.083 . . . . 0.0 111.172 -178.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.657 HD11 ' HB2' ' A' ' 12' ' ' ALA . 3.7 pp -65.19 -32.08 73.57 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.769 -1.207 . . . . 0.0 108.866 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.681 ' OE1' HD11 ' A' ' 52' ' ' LEU . 7.8 tp-100 -60.13 -40.98 91.65 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 178.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.752 HD11 ' CE2' ' A' ' 25' ' ' TYR . 96.8 mt -60.71 -37.34 81.38 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.579 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 79.7 t80 -65.26 -36.19 83.34 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.36 -0.838 . . . . 0.0 109.094 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.96 -46.01 92.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.275 -0.89 . . . . 0.0 110.21 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -64.86 -41.96 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 120.81 -1.181 . . . . 0.0 108.861 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.41 -35.28 77.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.898 -1.126 . . . . 0.0 108.81 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.936 HD23 ' HB2' ' A' ' 5' ' ' ALA . 28.9 tp -63.86 -42.13 97.61 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.421 -0.799 . . . . 0.0 109.786 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.44 -48.1 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.17 -0.956 . . . . 0.0 109.833 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.5 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.6 mp -64.4 -34.55 78.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.363 -0.836 . . . . 0.0 109.266 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.8 m -83.55 -0.16 49.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.228 -0.92 . . . . 0.0 108.767 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -89.19 150.25 22.76 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.606 -0.684 . . . . 0.0 109.629 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.67 150.52 15.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.32 -0.863 . . . . 0.0 109.171 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -57.84 136.09 56.94 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.921 . . . . 0.0 109.967 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.501 ' NH1' ' HB3' ' A' ' 2' ' ' ALA . 76.5 mtp180 -122.54 169.9 10.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.702 -0.624 . . . . 0.0 109.421 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.2 t -58.07 171.32 0.55 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.239 -0.913 . . . . 0.0 109.901 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -56.54 -27.71 58.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.517 -0.739 . . . . 0.0 110.571 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.41 -40.13 49.22 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.745 -1.222 . . . . 0.0 109.444 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.574 ' O ' ' SD ' ' A' ' 45' ' ' MET . 10.7 tmm? -64.53 -37.32 87.14 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.177 -0.952 . . . . 0.0 109.353 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 p -60.53 -38.52 84.7 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.236 -0.915 . . . . 0.0 109.163 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.62 94.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.239 -0.913 . . . . 0.0 108.704 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.02 -35.79 81.86 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.351 -0.843 . . . . 0.0 109.211 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.73 99.45 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.216 -0.927 . . . . 0.0 109.183 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -61.27 -42.63 98.96 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.216 -0.928 . . . . 0.0 109.015 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.27 -39.12 91.88 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.244 -0.91 . . . . 0.0 108.967 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.681 HD11 ' OE1' ' A' ' 28' ' ' GLN . 30.7 tp -58.75 -41.61 86.94 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.319 -0.863 . . . . 0.0 109.121 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.461 HD22 HD11 ' B' ' 195' ' ' LEU . 32.3 tp -61.15 -41.57 96.99 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.889 . . . . 0.0 108.781 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -61.06 -39.37 89.59 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.554 ' O ' ' N ' ' A' ' 59' ' ' PHE . 44.2 m -60.17 -40.65 90.71 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.645 -0.659 . . . . 0.0 109.821 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.548 HG21 ' CD2' ' B' ' 202' ' ' LEU . 83.9 mt -60.99 -55.23 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.194 -0.942 . . . . 0.0 109.551 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.25 -39.13 92.25 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.185 -0.947 . . . . 0.0 108.631 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.7 -30.33 67.95 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 55' ' ' THR . 2.0 t80 -60.29 -54.42 45.97 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.306 -0.871 . . . . 0.0 109.347 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.76 ' NZ ' HG21 ' A' ' 83' ' ' ILE . 31.2 mttt -60.2 -45.97 91.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.135 -0.978 . . . . 0.0 109.447 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -83.56 -1.77 54.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.343 -0.848 . . . . 0.0 110.816 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.6 tt0 -48.9 -36.42 17.12 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.935 -1.103 . . . . 0.0 109.81 -178.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.614 HG21 ' HG2' ' A' ' 68' ' ' GLU . 74.3 mt -71.57 -37.62 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.062 -1.024 . . . . 0.0 109.383 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.0 -6.34 35.27 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.19 -5.4 85.19 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -67.93 -47.33 69.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.149 -1.207 . . . . 0.0 109.263 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.7 t -69.39 -42.42 75.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.585 -0.697 . . . . 0.0 109.554 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.614 ' HG2' HG21 ' A' ' 63' ' ' ILE . 78.8 mm-40 -65.23 -34.88 79.42 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.406 -0.809 . . . . 0.0 109.14 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.566 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . 11.06 -76.21 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.202 0 CA-C-O 121.4 0.619 . . . . 0.0 111.711 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.601 ' N ' ' O ' ' A' ' 68' ' ' GLU . 71.9 mm-40 -57.34 135.76 56.53 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.365 -0.834 . . . . 0.0 109.158 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 47.84 45.5 18.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.047 -1.033 . . . . 0.0 108.909 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -57.4 -39.26 75.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.407 -0.808 . . . . 0.0 110.31 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -59.63 -44.17 93.57 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.042 -1.036 . . . . 0.0 109.593 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -62.39 -40.18 95.63 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.262 -0.899 . . . . 0.0 109.324 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -60.97 -41.67 96.84 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.306 -0.871 . . . . 0.0 109.881 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.72 -38.81 89.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.151 -0.968 . . . . 0.0 108.916 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.484 ' O ' ' OG1' ' A' ' 81' ' ' THR . 24.5 t-80 -61.19 -43.51 98.76 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.407 -0.808 . . . . 0.0 109.683 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.19 -49.05 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.205 -0.934 . . . . 0.0 110.028 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.457 ' O ' HD12 ' A' ' 83' ' ' ILE . 70.9 mtm -66.95 -46.01 76.04 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.994 -1.066 . . . . 0.0 109.812 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.583 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 88.5 m-20 -70.03 -44.17 69.81 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.144 -0.973 . . . . 0.0 110.84 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 61.6 m -64.18 -49.09 73.44 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.102 -0.999 . . . . 0.0 111.852 -178.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.435 HD23 ' HG2' ' A' ' 88' ' ' LYS . 69.1 mt -71.63 -34.3 69.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.781 -1.2 . . . . 0.0 110.853 -178.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.76 HG21 ' NZ ' ' A' ' 60' ' ' LYS . 86.3 mt -79.46 -42.1 22.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 O-C-N 121.01 -1.056 . . . . 0.0 111.239 -178.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.583 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 43.0 m80 -67.97 -44.99 75.42 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.961 -1.087 . . . . 0.0 111.506 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -80.09 109.41 14.52 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.755 -1.216 . . . . 0.0 110.271 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.494 ' CG ' ' N ' ' A' ' 87' ' ' GLU . 9.9 pt20 -62.57 -41.88 99.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.6 -0.687 . . . . 0.0 110.721 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' CG ' ' A' ' 86' ' ' GLN . 77.7 mm-40 -64.54 -40.23 95.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.134 -0.979 . . . . 0.0 109.483 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.435 ' HG2' HD23 ' A' ' 82' ' ' LEU . 6.4 tptm -60.69 -30.89 70.21 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.87 -42.51 69.98 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.452 -0.78 . . . . 0.0 109.015 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -63.18 -48.77 76.98 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.992 -1.067 . . . . 0.0 110.411 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.716 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -64.15 -40.07 87.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 120.989 -1.07 . . . . 0.0 108.423 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.716 ' N ' HD12 ' A' ' 91' ' ' ILE . 62.4 t80 -66.99 -46.98 72.91 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.6 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 70.0 mtm -68.38 -38.92 81.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.368 -0.833 . . . . 0.0 109.814 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 94' ' ' LEU . 38.1 tp -60.61 -41.42 94.74 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.015 -1.053 . . . . 0.0 108.956 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -63.75 -43.47 96.35 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.349 -0.844 . . . . 0.0 109.202 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.543 ' HE2' HD22 ' A' ' 100' ' ' LEU . 67.6 t80 -63.61 -43.19 97.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.53 -0.731 . . . . 0.0 109.641 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.742 HG22 HD23 ' A' ' 127' ' ' LEU . 50.4 p -62.08 -43.82 98.0 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.234 -0.916 . . . . 0.0 109.784 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 95.9 mmm -64.46 -43.1 95.28 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.219 -0.925 . . . . 0.0 109.242 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.8 t -70.6 -42.45 70.98 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.353 -0.842 . . . . 0.0 109.656 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.559 HD23 ' SG ' ' A' ' 124' ' ' CYS . 31.6 tp -64.7 -40.45 95.39 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.368 -0.832 . . . . 0.0 109.689 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.661 ' CE2' HD11 ' A' ' 105' ' ' LEU . 80.0 t80 -63.0 -44.15 96.81 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.265 -0.897 . . . . 0.0 109.798 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -58.88 -42.1 88.7 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.328 -0.857 . . . . 0.0 109.763 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.45 -38.38 89.56 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.283 -0.886 . . . . 0.0 109.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -63.31 -42.23 99.0 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.215 -0.928 . . . . 0.0 109.668 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.661 HD11 ' CE2' ' A' ' 101' ' ' TYR . 80.9 mt -57.13 -45.68 83.32 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.092 -1.005 . . . . 0.0 109.03 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -61.01 -39.24 88.96 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.227 -0.92 . . . . 0.0 109.293 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 111' ' ' GLY . 59.2 tp60 -62.63 -41.2 98.89 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.436 -0.79 . . . . 0.0 109.821 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.945 HD13 ' CE2' ' A' ' 157' ' ' TYR . 88.8 mt -64.39 -37.6 88.08 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.009 -1.057 . . . . 0.0 109.927 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -77.85 -52.82 8.28 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.314 -0.866 . . . . 0.0 110.812 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -94.8 -22.72 17.88 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.301 -0.874 . . . . 0.0 110.72 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -94.24 153.11 20.95 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 119.514 -1.327 . . . . 0.0 110.232 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -70.34 154.23 65.62 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.844 2.363 . . . . 0.0 111.944 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.491 ' CZ2' HG21 ' A' ' 166' ' ' ILE . 23.1 m-90 -90.41 121.97 32.86 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.117 -0.989 . . . . 0.0 109.657 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.5 m-20 -134.7 164.51 27.35 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.302 -0.874 . . . . 0.0 109.348 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.405 HG13 ' H ' ' A' ' 115' ' ' VAL . 2.8 m -63.93 -31.65 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.297 -0.877 . . . . 0.0 109.108 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.8 mtm -59.41 -40.11 85.61 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.416 -0.803 . . . . 0.0 109.683 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.11 -37.92 89.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.096 -1.002 . . . . 0.0 109.237 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -61.25 -41.7 97.37 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.257 -0.902 . . . . 0.0 109.397 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -62.17 -43.01 99.78 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.314 -0.866 . . . . 0.0 109.509 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 t -63.99 -37.43 87.4 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.355 -0.841 . . . . 0.0 109.412 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -60.47 -42.5 96.35 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.378 -0.826 . . . . 0.0 109.037 -179.761 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -63.63 -40.21 96.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.135 -0.978 . . . . 0.0 109.411 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.547 ' SG ' ' N ' ' A' ' 124' ' ' CYS . 0.1 OUTLIER -65.56 -41.03 93.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.946 . . . . 0.0 109.429 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.559 ' SG ' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -62.04 -49.34 76.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.191 -0.943 . . . . 0.0 109.749 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.58 -41.71 88.9 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 O-C-N 121.09 -1.006 . . . . 0.0 109.533 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.562 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.7 m-20 -59.51 -39.55 84.2 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.286 -0.884 . . . . 0.0 109.582 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.742 HD23 HG22 ' A' ' 97' ' ' THR . 53.2 tp -62.54 -46.92 86.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.249 -0.907 . . . . 0.0 109.621 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -71.74 -43.68 65.41 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.318 -0.864 . . . . 0.0 109.699 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.594 ' OG ' ' CE1' ' A' ' 133' ' ' HIS . 11.2 t -64.84 -40.08 94.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.416 -0.803 . . . . 0.0 110.343 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.579 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 77.4 m -66.04 -49.85 66.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.081 -1.012 . . . . 0.0 110.307 -179.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.401 HG12 ' CZ ' ' A' ' 26' ' ' TYR . 73.1 mt -60.16 -46.44 94.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.11 -0.994 . . . . 0.0 109.499 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.537 ' O ' ' N ' ' A' ' 136' ' ' LYS . 23.0 tp -61.53 -37.45 83.8 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.509 -0.745 . . . . 0.0 109.481 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.594 ' CE1' ' OG ' ' A' ' 129' ' ' SER . 63.6 m170 -57.82 -47.99 81.03 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.299 -0.875 . . . . 0.0 110.226 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.06 -47.19 84.03 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.053 -1.029 . . . . 0.0 109.938 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.452 ' CH2' ' NE2' ' A' ' 86' ' ' GLN . 23.2 m95 -88.94 4.36 48.31 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.41 -0.806 . . . . 0.0 110.589 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 132' ' ' LEU . 1.9 tptp -52.79 -35.36 56.55 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.165 -0.959 . . . . 0.0 109.477 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -63.09 -25.7 68.49 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.166 -0.959 . . . . 0.0 109.286 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -89.55 -1.39 58.02 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.248 -0.907 . . . . 0.0 110.054 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.8 mm -102.76 139.48 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.148 -0.97 . . . . 0.0 109.535 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 53.8 p -77.86 155.45 30.99 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.329 -0.857 . . . . 0.0 108.952 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.99 -43.89 70.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.08 -1.013 . . . . 0.0 109.749 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 29.3 m -69.94 -43.5 71.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.909 -1.119 . . . . 0.0 109.439 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.8 m -58.92 -40.5 84.72 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -38.66 87.88 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -56.7 -41.99 78.35 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.506 -0.746 . . . . 0.0 109.452 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.1 m -62.55 -51.1 68.73 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.236 -0.915 . . . . 0.0 109.591 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 147' ' ' LEU . 9.7 mp -66.21 -42.57 88.57 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.171 -0.955 . . . . 0.0 109.048 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.778 ' HA ' HE21 ' A' ' 148' ' ' GLN . 0.0 OUTLIER -63.01 -35.24 79.56 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.319 -0.863 . . . . 0.0 108.735 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -59.51 -43.46 93.38 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -60.34 -39.6 87.68 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.278 -0.889 . . . . 0.0 108.933 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 36.5 mm -61.29 -42.44 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.302 -0.874 . . . . 0.0 109.163 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -58.7 -37.99 77.29 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.176 -0.953 . . . . 0.0 109.111 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -60.83 -43.02 98.81 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.218 -0.926 . . . . 0.0 108.875 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' CYS . . . . . 0.655 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 33.4 m -67.57 -50.65 57.43 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.341 -0.85 . . . . 0.0 109.043 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -63.45 -35.96 82.16 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.401 -0.812 . . . . 0.0 109.532 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 10.9 mt -58.7 -48.75 84.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 O-C-N 121.27 -0.894 . . . . 0.0 110.045 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.945 ' CE2' HD13 ' A' ' 108' ' ' LEU . 68.8 t80 -63.94 -41.18 97.68 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.03 -1.044 . . . . 0.0 108.351 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 39.4 tp -59.01 -41.17 87.09 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.599 -0.688 . . . . 0.0 109.505 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.6 m -61.9 -40.96 97.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.155 -0.965 . . . . 0.0 109.187 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.429 ' HZ1' ' HA3' ' A' ' 167' ' ' GLY . 53.6 mtmt -61.58 -38.67 88.39 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.358 -0.839 . . . . 0.0 109.387 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.514 HD11 ' HE2' ' A' ' 157' ' ' TYR . 54.4 mt -63.03 -36.69 84.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.035 -1.041 . . . . 0.0 108.641 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.58 83.08 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.357 -0.84 . . . . 0.0 108.952 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -81.55 -11.99 58.97 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.339 -0.85 . . . . 0.0 109.371 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.14 1.13 72.95 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -94.76 141.94 28.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.275 -1.132 . . . . 0.0 109.758 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.491 HG21 ' CZ2' ' A' ' 113' ' ' TRP . 34.2 mm -115.04 134.56 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.408 -0.808 . . . . 0.0 109.321 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 166' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.299 0 CA-C-O 117.975 -1.458 . . . . 0.0 109.503 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 177' ' ' VAL . . . . . 0.418 ' H ' HG22 ' B' ' 177' ' ' VAL . 0.2 OUTLIER -67.95 153.8 94.71 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.292 -0.88 . . . . 0.0 109.329 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -58.28 147.1 86.4 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.705 2.27 . . . . 0.0 112.187 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.0 145.18 31.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.314 -0.866 . . . . 0.0 109.518 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 83.8 mt -56.3 -37.98 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.294 -0.879 . . . . 0.0 109.598 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -85.46 139.87 31.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.225 -0.922 . . . . 0.0 109.429 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -69.81 138.94 53.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.257 -0.902 . . . . 0.0 109.592 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -60.3 -32.8 71.55 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.244 -0.91 . . . . 0.0 109.463 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.36 -32.91 62.94 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.277 -0.89 . . . . 0.0 109.7 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 43.2 t -108.17 137.1 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.402 -0.811 . . . . 0.0 109.614 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -100.11 157.85 16.27 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.329 -0.857 . . . . 0.0 109.5 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.57 -42.89 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.323 -0.86 . . . . 0.0 109.833 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.628 ' OD1' ' N ' ' B' ' 189' ' ' ASP . 54.2 p30 -64.0 -29.25 70.42 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.953 -1.092 . . . . 0.0 109.882 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 189' ' ' ASP . . . . . 0.628 ' N ' ' OD1' ' B' ' 188' ' ' ASP . 38.1 t0 -60.34 -46.93 88.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.067 -1.021 . . . . 0.0 110.057 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.34 -42.33 75.45 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.304 -0.873 . . . . 0.0 110.256 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -57.69 -42.62 84.04 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.713 -1.242 . . . . 0.0 109.599 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.25 -38.51 90.57 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.129 -0.982 . . . . 0.0 109.172 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.94 -40.07 94.26 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.221 -0.924 . . . . 0.0 109.058 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -60.89 -43.09 98.97 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 109.44 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 195' ' ' LEU . . . . . 0.461 HD11 HD22 ' A' ' 53' ' ' LEU . 42.9 tp -60.13 -40.41 89.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.292 -0.88 . . . . 0.0 109.455 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.06 94.87 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.227 -0.92 . . . . 0.0 109.032 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -64.95 -34.93 79.6 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.351 -0.843 . . . . 0.0 109.132 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -60.2 -44.12 95.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.25 -0.906 . . . . 0.0 109.132 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 3.3 tp -62.46 -42.4 99.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.263 -0.898 . . . . 0.0 108.96 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -59.0 -36.33 74.72 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.391 -0.818 . . . . 0.0 109.047 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.27 85.96 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 202' ' ' LEU . . . . . 0.548 ' CD2' HG21 ' A' ' 56' ' ' ILE . 13.2 tp -59.97 -38.98 84.09 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.41 -0.806 . . . . 0.0 108.878 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 203' ' ' ARG . . . . . 0.427 ' HD3' HD22 ' A' ' 29' ' ' LEU . 59.9 mtm180 -87.72 -8.23 56.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.368 -0.833 . . . . 0.0 109.493 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.278 0.561 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.51 ' HB2' ' NE ' ' A' ' 41' ' ' ARG . . . -59.17 -40.45 85.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.19 -0.944 . . . . 0.0 109.206 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -63.44 -38.51 91.43 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.207 -0.933 . . . . 0.0 109.035 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -57.34 -40.04 77.15 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.16 -0.963 . . . . 0.0 108.411 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.986 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.52 -39.66 94.2 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.73 88.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.433 -0.792 . . . . 0.0 109.646 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.403 HH12 ' HD3' ' A' ' 119' ' ' ARG . 10.8 tpt180 -60.62 -39.7 89.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.066 -1.021 . . . . 0.0 109.323 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.705 ' CG1' HD13 ' A' ' 27' ' ' LEU . 56.0 t -62.01 -39.72 84.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.279 -0.888 . . . . 0.0 109.442 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.93 -41.62 89.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.167 -0.958 . . . . 0.0 108.492 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.15 80.12 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.336 -0.852 . . . . 0.0 109.056 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -35.37 80.87 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.468 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -59.64 -42.47 92.8 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.174 -0.954 . . . . 0.0 108.879 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -60.89 -39.31 88.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.341 -0.849 . . . . 0.0 108.732 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -58.06 -41.16 82.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.286 -0.884 . . . . 0.0 109.175 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -62.91 -39.62 95.09 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.331 -0.856 . . . . 0.0 109.365 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -58.22 -39.62 79.52 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.153 -0.967 . . . . 0.0 108.576 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -61.69 -31.11 71.23 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -83.98 -14.17 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.412 -0.805 . . . . 0.0 109.322 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' C ' HD22 ' A' ' 20' ' ' LEU . . . 89.41 14.99 59.29 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.512 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 3.3 mm? -95.68 54.25 1.52 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.288 -1.124 . . . . 0.0 108.89 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.01 -27.82 62.83 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.349 -1.1 . . . . 0.0 110.349 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.3 mm -58.07 -49.19 82.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.012 -1.287 . . . . 0.0 109.364 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 mm -63.53 -41.77 93.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.79 -40.87 97.24 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.721 ' CE2' HD11 ' A' ' 29' ' ' LEU . 62.8 t80 -60.62 -48.39 82.0 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.055 -1.262 . . . . 0.0 110.544 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.655 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 48.1 t80 -66.87 -46.92 73.48 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.947 -1.096 . . . . 0.0 110.873 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.715 HD12 ' C ' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -68.41 -36.44 79.11 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.061 -1.024 . . . . 0.0 110.319 -178.733 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.412 ' N ' HD12 ' A' ' 27' ' ' LEU . 19.0 mt-30 -60.94 -40.4 93.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.65 -1.281 . . . . 0.0 108.802 178.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.721 HD11 ' CE2' ' A' ' 25' ' ' TYR . 80.2 mt -62.32 -38.75 90.64 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.607 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 72.8 t80 -65.83 -35.99 82.24 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.309 -0.869 . . . . 0.0 109.227 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.54 -45.79 92.69 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.279 -0.888 . . . . 0.0 110.368 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.697 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -64.7 -41.99 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.838 -1.164 . . . . 0.0 108.936 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.93 -35.33 78.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.99 -1.069 . . . . 0.0 109.003 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.986 HD23 ' HB2' ' A' ' 5' ' ' ALA . 36.1 tp -63.43 -42.96 98.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.348 -0.845 . . . . 0.0 110.022 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.65 -48.16 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.021 -1.05 . . . . 0.0 109.821 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.517 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.0 mp -66.26 -36.48 83.11 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.255 -0.903 . . . . 0.0 109.541 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.7 p -72.81 -20.77 61.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.16 -0.963 . . . . 0.0 108.514 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.62 ' CD ' ' HE ' ' A' ' 41' ' ' ARG . 82.0 tt0 -85.43 151.31 24.09 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -55.76 150.34 12.99 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.279 -0.888 . . . . 0.0 109.44 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.512 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 47.5 p30 -58.09 136.7 57.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.319 -0.863 . . . . 0.0 110.498 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.62 ' HE ' ' CD ' ' A' ' 38' ' ' GLU . 95.8 mtt-85 -122.89 171.14 9.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.724 -0.61 . . . . 0.0 109.58 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.0 p -57.42 169.4 0.64 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.322 -0.861 . . . . 0.0 110.472 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -56.54 -24.47 47.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.773 -0.579 . . . . 0.0 111.248 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -48.5 -44.26 35.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.635 -1.291 . . . . 0.0 109.527 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -34.37 77.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.918 -1.113 . . . . 0.0 108.982 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.5 m -59.3 -41.47 89.07 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.291 -0.88 . . . . 0.0 109.113 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.67 -43.81 88.17 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.188 -0.945 . . . . 0.0 108.806 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.02 -39.32 89.31 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.41 -0.807 . . . . 0.0 109.069 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.18 90.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.367 -0.833 . . . . 0.0 109.15 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.8 m -60.76 -42.31 97.18 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.332 -0.855 . . . . 0.0 109.105 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.7 -39.73 92.51 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.219 -0.926 . . . . 0.0 109.004 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.57 -40.42 91.62 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.305 -0.872 . . . . 0.0 109.082 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.669 HD22 HD11 ' B' ' 195' ' ' LEU . 45.2 tp -60.69 -40.74 93.28 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.284 -0.885 . . . . 0.0 109.069 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -59.65 -40.42 87.62 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.379 -0.826 . . . . 0.0 108.877 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.3 m -60.57 -43.23 97.54 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.635 -0.666 . . . . 0.0 109.692 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.407 HG21 HD22 ' B' ' 202' ' ' LEU . 83.1 mt -62.28 -54.86 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.127 -0.983 . . . . 0.0 109.33 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.65 -37.18 83.09 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.5 -33.65 75.53 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.404 -0.81 . . . . 0.0 108.909 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -59.0 -53.98 52.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.177 -0.952 . . . . 0.0 109.309 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -59.66 -39.04 83.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.188 -0.945 . . . . 0.0 108.923 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -82.33 -1.99 51.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.486 -0.759 . . . . 0.0 109.754 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.7 tt0 -49.08 -32.81 10.33 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.924 . . . . 0.0 110.258 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.928 HD11 ' SD ' ' A' ' 79' ' ' MET . 80.8 mt -67.42 -41.64 86.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.053 -1.029 . . . . 0.0 109.59 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.92 -4.11 11.05 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.446 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 94.46 -5.68 70.76 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -63.44 -47.05 83.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.076 -1.249 . . . . 0.0 109.183 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.488 ' O ' ' O ' ' A' ' 70' ' ' GLU . 18.6 m -68.91 -29.86 68.22 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -55.79 -28.92 58.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.604 -0.685 . . . . 0.0 109.484 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.28 96.54 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.999 -1.063 . . . . 0.0 109.953 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.5 mt-10 -134.47 146.03 49.38 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.313 -0.867 . . . . 0.0 109.879 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 49.81 40.23 19.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.251 -0.906 . . . . 0.0 109.228 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.6 p -63.21 -37.68 88.19 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.268 -0.895 . . . . 0.0 109.74 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.584 ' O ' ' CD2' ' A' ' 77' ' ' HIS . 89.9 m-20 -62.76 -41.29 99.16 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.183 -0.948 . . . . 0.0 109.598 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -61.74 -45.76 92.53 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.338 -0.851 . . . . 0.0 110.082 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.7 p -64.09 -41.85 97.15 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.144 -0.972 . . . . 0.0 109.785 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.475 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 98.2 mt -68.69 -37.74 79.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.262 -0.899 . . . . 0.0 110.049 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 50.5 m-70 -59.85 -45.67 91.7 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.112 -0.992 . . . . 0.0 110.3 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.15 -50.13 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.991 -1.068 . . . . 0.0 110.029 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.928 ' SD ' HD11 ' A' ' 63' ' ' ILE . 89.6 mtp -68.41 -46.29 70.36 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.171 -0.956 . . . . 0.0 110.401 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.593 ' OD1' ' CE1' ' A' ' 84' ' ' HIS . 27.9 t30 -65.62 -44.26 87.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.239 -0.913 . . . . 0.0 111.196 -178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 74.6 m -70.12 -49.18 53.38 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.08 -1.013 . . . . 0.0 112.094 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.69 -33.75 66.71 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.871 -1.143 . . . . 0.0 111.662 -177.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 79.8 mt -78.8 -42.18 24.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.939 -1.101 . . . . 0.0 111.291 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.593 ' CE1' ' OD1' ' A' ' 80' ' ' ASN . 80.2 m80 -75.3 -48.18 24.39 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.992 -1.067 . . . . 0.0 111.51 -178.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -84.42 111.03 19.09 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.789 -1.194 . . . . 0.0 110.394 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -62.02 -36.58 81.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.474 -0.766 . . . . 0.0 110.274 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.04 -41.08 86.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.192 -0.943 . . . . 0.0 109.667 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -62.47 -32.16 73.01 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.223 -0.923 . . . . 0.0 108.707 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.31 -44.59 64.84 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.365 -0.834 . . . . 0.0 110.053 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -63.51 -48.54 77.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.032 -1.042 . . . . 0.0 110.49 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -62.64 -41.32 91.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.049 -1.032 . . . . 0.0 108.586 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.698 ' N ' HD12 ' A' ' 91' ' ' ILE . 60.5 t80 -63.01 -46.37 87.96 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.655 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 83.2 mtp -68.74 -40.66 79.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.434 -0.791 . . . . 0.0 109.893 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.26 -40.54 90.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.149 -0.969 . . . . 0.0 108.82 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -62.38 -43.64 98.35 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.367 -0.833 . . . . 0.0 108.965 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.819 ' CE2' HD11 ' A' ' 100' ' ' LEU . 79.1 t80 -65.94 -48.25 71.97 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.496 -0.753 . . . . 0.0 109.635 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.744 HG22 HD23 ' A' ' 127' ' ' LEU . 38.3 p -62.47 -41.53 98.84 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.219 -0.926 . . . . 0.0 109.847 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.2 ttm -60.24 -41.04 92.32 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.275 -0.891 . . . . 0.0 109.038 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -62.4 -42.09 99.16 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.364 -0.835 . . . . 0.0 109.431 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.819 HD11 ' CE2' ' A' ' 96' ' ' PHE . 81.1 mt -68.25 -37.35 80.68 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.273 -0.892 . . . . 0.0 109.903 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.615 ' CE2' HD11 ' A' ' 105' ' ' LEU . 72.6 t80 -58.15 -48.27 80.78 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.884 -1.135 . . . . 0.0 109.524 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -67.43 -44.07 79.65 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.137 -0.977 . . . . 0.0 110.098 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.13 -43.93 90.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.353 -0.842 . . . . 0.0 110.905 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -62.37 -45.85 91.28 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.949 -1.094 . . . . 0.0 110.44 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.615 HD11 ' CE2' ' A' ' 101' ' ' TYR . 93.8 mt -56.53 -52.33 65.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.779 -1.201 . . . . 0.0 109.113 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -62.45 -36.34 82.11 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.126 -0.984 . . . . 0.0 109.177 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.6 ' O ' ' N ' ' A' ' 111' ' ' GLY . 10.3 tp-100 -60.35 -42.34 95.53 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.41 -0.806 . . . . 0.0 109.833 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.844 HD13 ' CE2' ' A' ' 157' ' ' TYR . 89.2 mt -64.97 -37.79 88.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.0 -1.063 . . . . 0.0 109.352 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -76.68 -52.85 8.86 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 110.411 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -87.06 -22.7 25.28 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.352 -0.843 . . . . 0.0 110.723 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -98.54 155.08 20.14 Favored Glycine 0 N--CA 1.493 2.441 0 C-N-CA 119.574 -1.298 . . . . 0.0 110.366 -179.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.0 154.21 67.01 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.926 2.417 . . . . 0.0 112.017 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.581 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 22.3 m-90 -94.77 116.16 28.4 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.173 -0.954 . . . . 0.0 109.743 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.9 m-20 -134.99 169.19 17.8 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.344 -0.848 . . . . 0.0 109.146 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.6 m -64.08 -32.62 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 O-C-N 121.178 -0.951 . . . . 0.0 109.443 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.401 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.5 mtm -60.12 -40.5 89.93 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.28 -0.888 . . . . 0.0 109.637 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.4 mm? -67.11 -38.19 85.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.263 -0.898 . . . . 0.0 109.487 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.496 ' HE2' HD23 ' A' ' 161' ' ' LEU . 89.2 mttt -58.43 -46.02 87.33 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.289 -0.882 . . . . 0.0 109.443 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.403 ' HD3' HH12 ' A' ' 7' ' ' ARG . 92.6 mtt180 -62.93 -38.94 93.02 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.297 -0.877 . . . . 0.0 109.67 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.9 m -62.02 -40.16 94.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.298 -0.876 . . . . 0.0 109.884 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.437 ' CD1' HD21 ' A' ' 158' ' ' LEU . 94.7 mt -64.79 -43.92 91.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.17 -0.956 . . . . 0.0 109.961 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.57 ' NE1' HD13 ' A' ' 158' ' ' LEU . 77.2 m95 -61.11 -37.65 83.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.963 -1.086 . . . . 0.0 109.614 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.618 ' SG ' ' N ' ' A' ' 124' ' ' CYS . 0.1 OUTLIER -69.0 -45.84 69.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.184 -0.948 . . . . 0.0 109.455 179.492 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.618 ' N ' ' SG ' ' A' ' 123' ' ' CYS . 89.6 m -65.42 -48.46 72.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.284 -0.885 . . . . 0.0 109.809 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.55 -42.38 91.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 O-C-N 121.125 -0.985 . . . . 0.0 109.421 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 122' ' ' TRP . 90.9 m-20 -59.93 -38.76 83.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.257 -0.902 . . . . 0.0 109.135 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.744 HD23 HG22 ' A' ' 97' ' ' THR . 42.7 tp -61.44 -42.09 98.21 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.356 -0.84 . . . . 0.0 109.436 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -64.94 -42.95 94.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.303 -0.873 . . . . 0.0 109.244 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.5 m -62.91 -37.82 88.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.415 -0.803 . . . . 0.0 109.936 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.607 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 74.4 m -62.46 -49.41 75.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.245 -0.909 . . . . 0.0 109.57 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.97 -46.55 96.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 121.185 -0.947 . . . . 0.0 109.272 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 136' ' ' LYS . 39.9 tp -63.39 -39.06 93.47 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.55 -0.719 . . . . 0.0 109.924 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -57.77 -49.45 76.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.151 -0.968 . . . . 0.0 110.098 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.4 tp -67.46 -43.02 82.08 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.052 -1.03 . . . . 0.0 109.8 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -87.29 1.7 52.44 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.285 -0.884 . . . . 0.0 110.657 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -53.08 -37.39 61.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.998 -1.063 . . . . 0.0 109.482 -179.8 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -62.87 -25.5 68.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.301 -0.875 . . . . 0.0 109.628 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -89.15 -2.93 58.73 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.21 -0.931 . . . . 0.0 110.044 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.4 mm -103.36 143.47 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.215 -0.928 . . . . 0.0 109.162 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 32.0 t -77.83 150.2 34.27 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.289 -0.882 . . . . 0.0 108.783 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.68 -41.25 85.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.121 -0.987 . . . . 0.0 109.893 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.0 m -70.35 -45.85 65.32 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.07 -1.019 . . . . 0.0 109.688 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 86.4 p -64.26 -39.94 94.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.259 -0.9 . . . . 0.0 109.175 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.95 -39.91 72.32 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.086 -1.009 . . . . 0.0 108.634 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -49.61 -45.63 48.35 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.5 m -63.64 -40.2 96.26 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.428 ' HA ' HH11 ' A' ' 150' ' ' ARG . 35.5 tp -65.68 -38.81 90.32 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.548 -0.72 . . . . 0.0 109.558 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.465 ' HA ' ' NE2' ' A' ' 148' ' ' GLN . 13.4 mm100 -58.82 -38.32 78.36 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -62.03 -41.75 98.44 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.554 -0.717 . . . . 0.0 109.63 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.428 HH11 ' HA ' ' A' ' 147' ' ' LEU . 80.3 mtt85 -58.37 -42.54 87.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.96 -1.087 . . . . 0.0 108.863 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 33.9 mm -64.91 -42.72 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -58.06 -38.3 76.05 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -58.51 -43.77 89.24 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 77.3 m -64.9 -50.36 66.85 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.274 -0.891 . . . . 0.0 108.868 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -60.1 -36.35 77.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.291 -0.88 . . . . 0.0 108.832 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 15.8 mt -58.76 -43.04 87.04 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 O-C-N 121.397 -0.814 . . . . 0.0 110.014 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.844 ' CE2' HD13 ' A' ' 108' ' ' LEU . 69.1 t80 -62.5 -42.51 99.55 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.299 -0.875 . . . . 0.0 108.901 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.57 HD13 ' NE1' ' A' ' 122' ' ' TRP . 72.1 mt -61.74 -40.1 93.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.92 . . . . 0.0 109.37 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.4 m -63.13 -41.46 99.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.222 -0.923 . . . . 0.0 109.882 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 165' ' ' GLU . 40.0 mtpt -61.62 -39.71 92.25 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.104 -0.997 . . . . 0.0 109.323 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.538 HD11 ' CE2' ' A' ' 157' ' ' TYR . 8.1 mp -65.15 -36.1 83.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.19 -0.944 . . . . 0.0 109.024 179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.1 -37.09 83.76 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.235 -0.916 . . . . 0.0 108.92 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -85.37 -4.41 59.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.383 -0.823 . . . . 0.0 109.274 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.56 -0.41 67.91 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 160' ' ' LYS . 95.5 mt-10 -94.77 147.1 23.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.193 -1.18 . . . . 0.0 109.786 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 37.5 mm -116.48 134.69 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.473 -0.767 . . . . 0.0 109.517 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 177' ' ' VAL . . . . . 0.406 ' H ' HG22 ' B' ' 177' ' ' VAL . 0.2 OUTLIER -67.96 153.59 95.04 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 121.242 -0.911 . . . . 0.0 109.379 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.79 144.18 96.73 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.593 2.195 . . . . 0.0 112.084 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.27 -33.33 69.29 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.258 -0.902 . . . . 0.0 109.323 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 29.5 mm -113.37 136.39 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.455 -0.778 . . . . 0.0 109.271 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -83.42 144.4 29.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.121 -0.987 . . . . 0.0 109.518 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -62.02 -30.8 71.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 0.0 109.586 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -87.77 145.91 25.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.282 -0.886 . . . . 0.0 109.455 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -104.57 151.65 23.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.408 -0.807 . . . . 0.0 109.434 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 14.1 m -68.04 -32.72 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.253 -0.904 . . . . 0.0 109.593 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -56.98 -35.52 69.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.252 -0.905 . . . . 0.0 109.557 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.46 -40.7 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.275 -0.891 . . . . 0.0 109.468 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.87 -34.82 73.64 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.063 -1.023 . . . . 0.0 109.724 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -56.91 -48.28 78.61 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.224 -0.923 . . . . 0.0 110.533 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.16 -38.12 78.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.13 -0.981 . . . . 0.0 109.998 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -61.03 -41.26 96.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.908 -1.12 . . . . 0.0 109.239 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.56 -38.04 88.42 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.234 -0.916 . . . . 0.0 109.232 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.23 -41.36 96.73 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.284 -0.885 . . . . 0.0 109.087 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -62.02 -41.43 98.09 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.299 -0.876 . . . . 0.0 109.328 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 195' ' ' LEU . . . . . 0.669 HD11 HD22 ' A' ' 53' ' ' LEU . 13.9 tp -59.32 -40.74 87.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.325 -0.86 . . . . 0.0 109.226 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.77 94.81 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.166 -0.959 . . . . 0.0 109.372 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -65.06 -35.45 81.18 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.174 -0.954 . . . . 0.0 109.419 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 198' ' ' ARG . . . . . 0.538 ' HD3' HD21 ' A' ' 53' ' ' LEU . 74.8 ttt180 -62.64 -43.38 98.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.229 -0.919 . . . . 0.0 109.342 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 199' ' ' LEU . . . . . 0.697 HD22 HG21 ' A' ' 32' ' ' VAL . 4.1 tp -61.66 -43.74 98.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.307 -0.871 . . . . 0.0 109.21 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -60.89 -36.65 79.78 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.339 -0.851 . . . . 0.0 109.194 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.56 -37.46 86.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.193 -0.942 . . . . 0.0 108.784 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 202' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 56' ' ' ILE . 14.9 tp -60.63 -38.68 85.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.38 -0.825 . . . . 0.0 108.86 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -93.7 -1.21 55.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.311 -0.868 . . . . 0.0 109.409 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 118.054 -1.414 . . . . 0.0 109.574 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.415 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -59.14 -42.26 90.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.224 -0.922 . . . . 0.0 109.162 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -63.51 -37.65 88.12 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.193 -0.942 . . . . 0.0 108.981 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -57.09 -39.61 75.36 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.409 ' HB2' HD12 ' A' ' 34' ' ' LEU . . . -65.39 -40.18 93.16 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.18 99.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.361 -0.837 . . . . 0.0 109.196 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.592 ' O ' HG23 ' A' ' 11' ' ' THR . 10.3 tpp180 -60.44 -38.9 85.6 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.306 -0.871 . . . . 0.0 109.296 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.93 -40.62 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.296 -0.877 . . . . 0.0 109.242 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.61 -38.1 79.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 C-N-CA 119.474 -0.89 . . . . 0.0 109.192 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.68 96.7 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.203 -0.936 . . . . 0.0 108.966 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 7' ' ' ARG . 2.7 p -69.01 -35.39 76.6 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.309 -0.869 . . . . 0.0 108.918 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.36 -44.47 88.84 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.293 -0.879 . . . . 0.0 109.16 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -63.77 -42.35 97.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.282 -0.886 . . . . 0.0 109.161 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.59 -40.93 93.56 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.541 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.94 -41.62 98.17 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.339 -0.85 . . . . 0.0 109.374 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -58.68 -38.94 79.29 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.266 -0.896 . . . . 0.0 108.722 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -60.76 -30.56 70.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.475 -0.766 . . . . 0.0 109.253 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -83.44 -14.55 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.35 -0.844 . . . . 0.0 109.771 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.11 25.22 29.58 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.6 mt -95.36 54.7 1.65 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.218 -1.166 . . . . 0.0 109.01 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.0 -30.62 57.6 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.46 HG21 ' CD2' ' A' ' 92' ' ' TYR . 9.4 mm -58.61 -54.13 37.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.202 -1.175 . . . . 0.0 109.596 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.1 mm -64.87 -38.0 81.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.75 -45.45 94.82 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.749 ' CE2' HD11 ' A' ' 29' ' ' LEU . 64.2 t80 -60.73 -48.62 80.99 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.953 -1.322 . . . . 0.0 109.95 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.665 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 74.5 t80 -66.18 -43.56 86.5 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.152 -0.967 . . . . 0.0 110.5 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.743 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -69.05 -36.42 77.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.107 -0.996 . . . . 0.0 110.203 -179.017 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.401 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 91.2 mt-30 -61.73 -40.71 96.06 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.617 -1.302 . . . . 0.0 108.781 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.749 HD11 ' CE2' ' A' ' 25' ' ' TYR . 88.4 mt -61.52 -39.51 91.27 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.159 -0.963 . . . . 0.0 108.47 178.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.606 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 71.5 t80 -66.56 -36.29 82.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.152 -0.968 . . . . 0.0 109.077 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.94 86.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.271 -0.893 . . . . 0.0 109.955 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.08 -47.26 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.776 -1.202 . . . . 0.0 108.66 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' OE2' ' NH1' ' B' ' 203' ' ' ARG . 97.0 mt-10 -62.19 -33.8 75.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.007 -1.058 . . . . 0.0 108.71 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.714 HD13 ' C ' ' A' ' 34' ' ' LEU . 3.2 tm? -60.96 -45.8 93.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.484 -0.76 . . . . 0.0 109.518 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.1 mt -63.67 -46.45 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.143 -0.973 . . . . 0.0 109.806 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.1 mp -63.0 -36.23 82.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.302 -0.874 . . . . 0.0 109.326 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.2 p -72.68 -23.36 60.87 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' OE2' ' CZ ' ' A' ' 41' ' ' ARG . 83.5 tt0 -69.74 150.93 46.4 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.782 -0.574 . . . . 0.0 109.683 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.21 150.93 13.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.0 109.269 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -57.81 130.68 47.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.291 -0.881 . . . . 0.0 110.099 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.485 ' CZ ' ' OE2' ' A' ' 38' ' ' GLU . 10.9 mtt85 -122.09 170.87 9.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.747 -0.596 . . . . 0.0 109.582 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.7 m -57.39 168.07 0.85 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.321 -0.862 . . . . 0.0 110.647 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.682 ' OE1' HG21 ' A' ' 46' ' ' THR . 8.3 tp-100 -55.56 -25.45 38.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.817 -0.552 . . . . 0.0 110.776 -178.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -50.18 -39.98 45.52 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.866 -1.146 . . . . 0.0 109.298 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -35.11 79.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.046 -1.034 . . . . 0.0 109.02 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.682 HG21 ' OE1' ' A' ' 43' ' ' GLN . 41.1 m -59.34 -42.04 90.58 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.314 -0.866 . . . . 0.0 109.255 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.7 95.97 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.21 -0.931 . . . . 0.0 108.755 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.81 -39.03 87.42 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.239 -0.913 . . . . 0.0 108.957 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.41 87.27 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.326 -0.859 . . . . 0.0 109.642 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 46' ' ' THR . 71.3 p -62.97 -43.05 99.84 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.063 -1.023 . . . . 0.0 109.495 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.66 -40.63 92.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.323 -0.861 . . . . 0.0 108.869 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.3 -38.21 90.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.25 -0.906 . . . . 0.0 109.0 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.689 HD22 HD11 ' B' ' 195' ' ' LEU . 31.4 tp -59.33 -41.04 88.17 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.269 -0.894 . . . . 0.0 108.646 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -60.97 -39.64 90.34 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 59' ' ' PHE . 51.8 m -60.32 -39.05 85.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.698 -0.626 . . . . 0.0 109.816 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.633 HG21 HD22 ' B' ' 202' ' ' LEU . 31.7 mm -57.36 -53.05 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.114 -0.991 . . . . 0.0 109.224 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.5 -36.79 84.93 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.83 -32.47 73.04 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 55' ' ' THR . 87.2 t80 -60.01 -54.46 45.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.266 -0.896 . . . . 0.0 109.441 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -62.67 -42.89 99.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.108 -0.995 . . . . 0.0 109.395 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -82.79 -2.56 54.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.355 -0.841 . . . . 0.0 110.084 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.58 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.39 -35.38 18.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.076 -1.015 . . . . 0.0 109.777 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 65' ' ' GLY . 86.3 mt -68.72 -36.98 76.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.187 -0.946 . . . . 0.0 109.642 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.0 -5.63 12.61 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.164 -1.575 . . . . 0.0 109.164 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.404 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 89.93 -7.95 80.74 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -65.7 -46.49 78.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.104 -1.233 . . . . 0.0 109.718 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.5 t -63.61 -35.15 79.58 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.199 -0.938 . . . . 0.0 109.321 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.475 ' OE2' HD21 ' A' ' 76' ' ' LEU . 96.8 mt-10 -63.01 -29.23 70.66 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.446 -0.784 . . . . 0.0 109.893 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -40.56 -37.07 0.66 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.196 -0.94 . . . . 0.0 109.782 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -110.41 131.29 55.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.403 -0.81 . . . . 0.0 109.039 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 51.59 48.02 23.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.105 -0.997 . . . . 0.0 109.002 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.9 t -56.32 -38.5 71.39 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.34 -0.85 . . . . 0.0 110.344 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.82 -43.74 94.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.053 -1.029 . . . . 0.0 110.238 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -66.25 -41.08 90.45 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.043 -1.036 . . . . 0.0 110.343 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -62.37 -45.86 91.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.177 -0.952 . . . . 0.0 110.194 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.475 HD21 ' OE2' ' A' ' 68' ' ' GLU . 85.0 mt -65.53 -39.25 91.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.257 -0.902 . . . . 0.0 109.714 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.477 ' O ' ' OG1' ' A' ' 81' ' ' THR . 64.4 m170 -62.05 -45.59 92.88 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.19 -0.944 . . . . 0.0 109.951 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.42 -50.21 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.148 -0.97 . . . . 0.0 110.144 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 94.5 mmm -68.36 -46.59 69.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.223 -0.923 . . . . 0.0 110.715 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.588 ' OD1' ' CE1' ' A' ' 84' ' ' HIS . 32.1 t30 -68.56 -43.63 76.22 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.014 -1.054 . . . . 0.0 111.426 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 56.3 m -65.62 -48.34 72.56 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.152 -0.967 . . . . 0.0 111.948 -178.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.541 HD23 ' CG ' ' A' ' 88' ' ' LYS . 14.4 mt -72.36 -34.01 67.67 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.853 -1.154 . . . . 0.0 111.386 -178.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 94.2 mt -78.0 -35.56 20.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.987 -1.07 . . . . 0.0 111.065 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.588 ' CE1' ' OD1' ' A' ' 80' ' ' ASN . 77.7 m80 -89.13 -31.59 17.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.02 -1.05 . . . . 0.0 111.323 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -87.83 105.98 17.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.745 -1.222 . . . . 0.0 109.939 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -62.15 -40.11 94.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.34 -0.85 . . . . 0.0 109.914 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.56 -40.98 98.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.214 -0.929 . . . . 0.0 109.66 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.541 ' CG ' HD23 ' A' ' 82' ' ' LEU . 5.6 tptm -62.18 -34.34 76.24 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.83 -42.96 66.34 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.323 -0.861 . . . . 0.0 109.592 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -61.37 -48.86 79.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.269 -0.895 . . . . 0.0 109.862 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.669 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -66.59 -40.36 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.215 -0.928 . . . . 0.0 108.889 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.669 ' N ' HD12 ' A' ' 91' ' ' ILE . 61.1 t80 -61.96 -47.27 85.59 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.231 -0.918 . . . . 0.0 108.557 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.665 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 74.4 mtm -63.9 -37.28 86.82 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.324 -0.86 . . . . 0.0 109.34 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.8 mt -61.6 -39.62 91.87 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.016 -1.053 . . . . 0.0 108.825 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.62 -44.02 97.77 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.443 -0.786 . . . . 0.0 109.058 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -67.42 -49.46 63.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.365 -0.835 . . . . 0.0 109.343 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 93' ' ' MET . 81.5 p -62.47 -44.31 96.7 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 121.279 -0.888 . . . . 0.0 109.268 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 50.8 ttm -60.64 -47.64 85.32 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.299 -0.875 . . . . 0.0 108.761 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.4 t -65.0 -42.06 94.84 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 104' ' ' LYS . 33.2 tp -64.04 -37.64 88.17 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.486 -0.759 . . . . 0.0 109.337 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -59.37 -48.53 81.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.378 -0.826 . . . . 0.0 109.607 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -65.98 -46.74 76.95 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.091 -1.006 . . . . 0.0 109.009 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.46 -34.84 78.64 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.399 -0.813 . . . . 0.0 109.074 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 100' ' ' LEU . 6.1 ttpm? -59.91 -44.33 94.35 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.326 -0.859 . . . . 0.0 109.304 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.2 -43.4 98.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.185 -0.947 . . . . 0.0 109.281 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -61.23 -40.73 95.11 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.199 -0.938 . . . . 0.0 110.192 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' A' ' 111' ' ' GLY . 87.3 mt-30 -62.05 -40.93 97.43 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.127 -0.983 . . . . 0.0 109.921 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.471 HD13 ' CE2' ' A' ' 157' ' ' TYR . 82.0 mt -64.95 -38.98 92.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.01 -1.056 . . . . 0.0 109.467 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -78.6 -53.1 7.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.272 -0.893 . . . . 0.0 110.25 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -83.68 -23.02 31.91 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.49 -0.756 . . . . 0.0 110.72 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -101.78 149.44 18.1 Favored Glycine 0 N--CA 1.492 2.428 0 C-N-CA 119.601 -1.285 . . . . 0.0 110.253 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.01 154.08 52.65 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 122.725 2.283 . . . . 0.0 111.806 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.669 ' CH2' HG21 ' A' ' 166' ' ' ILE . 15.1 m-90 -92.3 116.69 29.18 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.073 -1.017 . . . . 0.0 109.635 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 88.0 m-20 -135.02 175.89 9.16 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.284 -0.885 . . . . 0.0 109.062 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -60.52 -36.2 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.166 -0.959 . . . . 0.0 109.316 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.445 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.7 mtm -60.44 -39.83 88.9 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.31 -0.869 . . . . 0.0 109.195 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.4 mm? -65.61 -37.91 87.95 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.308 -0.87 . . . . 0.0 108.958 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -57.87 -42.71 85.11 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.209 -0.932 . . . . 0.0 108.798 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -62.68 -39.47 94.06 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.368 -0.832 . . . . 0.0 109.03 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.9 m -62.67 -39.7 94.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.371 -0.831 . . . . 0.0 109.738 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.94 -42.0 99.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.191 -0.943 . . . . 0.0 109.743 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.754 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 86.5 m95 -63.53 -39.55 94.7 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.184 -0.947 . . . . 0.0 109.577 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.6 m -67.62 -42.77 81.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -0.891 . . . . 0.0 109.969 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 76.0 m -58.93 -47.31 85.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.158 -0.964 . . . . 0.0 109.722 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.93 -39.07 80.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.184 -0.948 . . . . 0.0 109.403 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.564 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 91.0 m-20 -60.21 -41.42 93.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.277 -0.889 . . . . 0.0 109.727 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.62 -42.24 99.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.136 -0.977 . . . . 0.0 109.627 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -72.31 -43.11 64.65 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.244 -0.91 . . . . 0.0 109.516 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.6 p -70.99 -33.13 70.11 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.265 -0.897 . . . . 0.0 110.246 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.606 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 90.2 m -68.14 -50.08 56.89 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.032 -1.043 . . . . 0.0 109.782 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.2 mt -66.37 -44.02 91.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.213 -0.929 . . . . 0.0 109.411 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.656 HD21 HE22 ' A' ' 148' ' ' GLN . 38.9 tp -63.09 -40.54 97.94 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.485 -0.76 . . . . 0.0 109.95 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -60.84 -49.33 77.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.183 -0.948 . . . . 0.0 110.278 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 39.1 tp -64.3 -44.75 90.65 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.075 -1.015 . . . . 0.0 109.866 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -87.4 3.51 46.79 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.311 -0.868 . . . . 0.0 110.327 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 132' ' ' LEU . 5.8 tptm -53.43 -36.01 61.07 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.242 -0.911 . . . . 0.0 109.858 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -62.78 -25.41 68.21 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.122 -0.986 . . . . 0.0 109.371 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -89.92 -2.9 58.27 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.193 -0.942 . . . . 0.0 110.099 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.9 mm -104.4 142.08 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.115 -0.991 . . . . 0.0 109.805 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.1 m -77.56 155.42 31.58 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -55.41 -41.57 72.9 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.07 -1.019 . . . . 0.0 109.716 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 26.6 m -72.14 -43.3 64.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.936 -1.102 . . . . 0.0 109.211 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.7 m -59.14 -39.32 82.02 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.153 -0.967 . . . . 0.0 108.653 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.9 -38.64 91.83 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -55.36 -45.54 76.51 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.404 -0.81 . . . . 0.0 109.421 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.5 m -61.35 -46.38 90.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.157 -0.964 . . . . 0.0 109.453 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 37.6 mt -65.79 -39.93 91.44 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.276 -0.89 . . . . 0.0 109.014 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.656 HE22 HD21 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -64.0 -36.21 83.25 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.334 -0.854 . . . . 0.0 109.001 179.481 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -62.19 -38.62 89.81 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.099 -1.0 . . . . 0.0 109.248 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.33 -42.5 98.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.061 -1.024 . . . . 0.0 108.339 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.7 -37.56 80.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -57.9 -41.43 82.6 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -58.82 -43.23 90.56 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 88.1 m -64.81 -50.36 67.03 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.287 -0.883 . . . . 0.0 109.077 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -62.39 -37.17 84.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.293 -0.879 . . . . 0.0 109.347 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 11.0 mt -58.5 -47.8 87.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.153 -0.967 . . . . 0.0 109.827 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.594 ' OH ' ' CE2' ' A' ' 113' ' ' TRP . 74.3 t80 -63.2 -40.42 97.44 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.754 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 36.5 tp -59.57 -41.06 89.35 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.2 m -61.84 -37.92 86.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.309 -0.869 . . . . 0.0 109.008 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -61.07 -40.28 93.07 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.269 -0.894 . . . . 0.0 108.9 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.67 -35.43 80.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.296 -0.877 . . . . 0.0 109.207 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.59 -37.18 82.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.411 -0.805 . . . . 0.0 109.145 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -81.73 -11.52 59.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.244 -0.91 . . . . 0.0 109.291 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.37 -2.21 74.04 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -94.89 139.61 31.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -1.145 . . . . 0.0 109.65 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.669 HG21 ' CH2' ' A' ' 113' ' ' TRP . 37.9 mm -116.39 134.05 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.451 -0.781 . . . . 0.0 109.389 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 166' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 118.014 -1.437 . . . . 0.0 109.565 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 44.3 t -67.83 135.31 92.19 Favored Pre-proline 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 0.0 109.066 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -66.07 145.09 78.18 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 121.943 1.762 . . . . 0.0 112.154 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -102.09 136.87 41.17 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.19 -0.944 . . . . 0.0 109.575 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 15.9 tt -124.8 138.14 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.479 -0.763 . . . . 0.0 109.373 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -84.57 139.98 31.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.194 -0.941 . . . . 0.0 109.465 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -65.85 146.81 54.3 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.225 -0.922 . . . . 0.0 109.574 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -57.86 -34.69 70.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.172 -0.955 . . . . 0.0 109.338 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.39 145.94 30.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.251 -0.906 . . . . 0.0 109.356 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 185' ' ' VAL . . . . . 0.535 HG12 ' H ' ' B' ' 187' ' ' VAL . 24.1 t -105.26 136.96 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.269 -0.894 . . . . 0.0 109.545 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -54.63 -31.8 57.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.49 -0.757 . . . . 0.0 109.84 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 187' ' ' VAL . . . . . 0.535 ' H ' HG12 ' B' ' 185' ' ' VAL . 53.2 t -55.64 -43.77 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.111 -0.993 . . . . 0.0 109.684 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -60.34 -35.22 75.14 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.843 -1.161 . . . . 0.0 109.57 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -60.17 -46.49 89.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.326 -0.859 . . . . 0.0 110.778 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 190' ' ' GLU . . . . . 0.426 ' H ' ' HG2' ' B' ' 190' ' ' GLU . 12.0 pt-20 -67.86 -40.55 83.63 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.02 -1.05 . . . . 0.0 110.395 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -57.23 -41.55 79.74 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.728 -1.233 . . . . 0.0 109.378 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.65 -40.52 92.56 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.116 -0.99 . . . . 0.0 109.004 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -62.39 -39.59 93.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.337 -0.852 . . . . 0.0 108.937 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -60.12 -42.1 94.05 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.381 -0.824 . . . . 0.0 109.278 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 195' ' ' LEU . . . . . 0.689 HD11 HD22 ' A' ' 53' ' ' LEU . 49.3 tp -59.64 -42.33 92.51 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.206 -0.934 . . . . 0.0 109.084 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.99 91.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.2 -0.938 . . . . 0.0 109.043 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -65.27 -34.75 79.08 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.359 -0.838 . . . . 0.0 109.162 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -58.96 -43.89 91.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.264 -0.898 . . . . 0.0 109.101 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.0 -42.66 99.9 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.213 -0.929 . . . . 0.0 108.858 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -58.96 -38.45 79.11 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.361 -0.837 . . . . 0.0 108.82 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.35 79.9 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.321 -0.862 . . . . 0.0 108.705 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 202' ' ' LEU . . . . . 0.633 HD22 HG21 ' A' ' 56' ' ' ILE . 4.2 tp -58.99 -39.72 82.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.0 108.988 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 203' ' ' ARG . . . . . 0.474 ' NH1' ' OE2' ' A' ' 33' ' ' GLU . 33.7 ptt180 -101.51 3.7 40.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.887 . . . . 0.0 109.445 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 117.991 -1.449 . . . . 0.0 109.515 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.1 83.74 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.136 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -63.38 -38.57 91.65 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.139 -0.976 . . . . 0.0 108.97 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -57.32 -39.63 76.22 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.548 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.66 -39.82 95.29 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.32 95.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.337 -0.852 . . . . 0.0 109.151 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' A' ' 11' ' ' THR . 12.4 tpt85 -60.29 -38.87 84.97 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.255 -0.903 . . . . 0.0 109.021 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.53 -39.47 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.281 -0.887 . . . . 0.0 109.007 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.45 -38.36 79.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.337 -0.852 . . . . 0.0 108.975 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.19 95.09 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.292 -0.963 . . . . 0.0 108.575 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.558 ' CG2' ' NH1' ' A' ' 7' ' ' ARG . 3.8 p -67.93 -35.36 78.29 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.97 -42.42 89.87 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.302 -0.874 . . . . 0.0 108.814 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -62.83 -43.58 98.41 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.255 -0.903 . . . . 0.0 108.933 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -61.34 -42.23 98.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.231 -0.918 . . . . 0.0 109.235 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -62.39 -40.5 96.69 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.337 -0.852 . . . . 0.0 109.206 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.474 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 55.5 t0 -58.75 -38.41 78.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.252 -0.905 . . . . 0.0 108.682 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -60.71 -30.48 69.98 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 18' ' ' VAL . 58.5 t -83.76 -10.22 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.432 -0.792 . . . . 0.0 109.477 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.53 16.86 56.27 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.1 mt -95.75 47.57 1.11 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.316 -1.108 . . . . 0.0 109.088 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.21 -32.24 57.01 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.2 mm -58.54 -50.23 79.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 O-C-N 121.172 -1.193 . . . . 0.0 109.603 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.2 mm -63.13 -42.22 95.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.227 -0.921 . . . . 0.0 109.05 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.551 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.59 -39.35 94.95 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.802 ' CE2' HD11 ' A' ' 29' ' ' LEU . 65.2 t80 -62.46 -47.72 82.78 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.149 -1.207 . . . . 0.0 110.408 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.667 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 70.9 t80 -61.11 -45.86 92.96 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.264 -0.897 . . . . 0.0 111.275 -178.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.551 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.9 pp -66.17 -33.41 75.71 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.579 -1.326 . . . . 0.0 109.918 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.489 ' N ' HD12 ' A' ' 27' ' ' LEU . 91.9 mt-30 -59.87 -40.41 88.53 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.624 -1.297 . . . . 0.0 107.895 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.802 HD11 ' CE2' ' A' ' 25' ' ' TYR . 86.0 mt -61.77 -38.29 87.49 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.661 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 84.7 t80 -67.32 -36.3 81.18 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.421 -0.799 . . . . 0.0 109.253 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.5 93.08 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.307 -0.871 . . . . 0.0 110.151 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.694 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -65.89 -42.53 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.778 -1.202 . . . . 0.0 108.775 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.6 -34.75 76.18 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.948 -1.095 . . . . 0.0 108.793 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.548 HD23 ' HB2' ' A' ' 5' ' ' ALA . 43.3 tp -64.25 -45.19 89.24 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.323 -0.861 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.1 mt -60.27 -46.63 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.08 -1.012 . . . . 0.0 110.111 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -64.44 -33.4 75.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.353 -0.842 . . . . 0.0 109.857 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.2 p -71.75 -25.66 62.13 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.077 -1.014 . . . . 0.0 109.73 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -76.22 150.46 37.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.358 -0.839 . . . . 0.0 109.931 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.94 151.05 15.46 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.432 -0.792 . . . . 0.0 109.136 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -57.35 140.17 50.93 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.234 -0.916 . . . . 0.0 109.825 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -122.15 170.57 9.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.718 -0.614 . . . . 0.0 109.475 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p -57.81 171.42 0.49 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.91 . . . . 0.0 109.769 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -55.58 -28.64 56.22 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.466 -0.772 . . . . 0.0 110.722 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.27 -41.68 50.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.799 -1.188 . . . . 0.0 109.412 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 56.3 ttp -64.3 -36.25 83.5 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.03 -1.044 . . . . 0.0 109.017 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.7 m -59.59 -40.91 89.03 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.415 -0.803 . . . . 0.0 109.25 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.27 97.91 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.268 -0.895 . . . . 0.0 108.794 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.5 tp -61.23 -39.28 89.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.375 -0.828 . . . . 0.0 109.006 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.49 91.21 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.299 -0.876 . . . . 0.0 109.366 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.1 m -60.7 -42.58 97.45 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.193 -0.942 . . . . 0.0 109.158 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.86 -39.36 91.6 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.261 -0.9 . . . . 0.0 108.964 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 52' ' ' LEU . 30.9 tp -60.55 -40.71 92.6 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.374 -0.829 . . . . 0.0 109.213 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.561 HD22 HD11 ' B' ' 195' ' ' LEU . 42.3 tp -61.08 -39.9 91.68 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.294 -0.879 . . . . 0.0 108.935 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -59.94 -41.28 91.51 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.459 -0.775 . . . . 0.0 108.938 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.407 HG22 ' NE2' ' A' ' 28' ' ' GLN . 42.9 m -60.72 -41.8 95.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.512 -0.743 . . . . 0.0 109.672 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.508 HG21 ' CD2' ' B' ' 202' ' ' LEU . 79.7 mt -59.29 -51.54 71.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.209 -0.932 . . . . 0.0 109.182 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.534 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.9 mt-10 -62.54 -36.71 83.47 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -65.24 -34.52 78.55 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -59.38 -54.26 48.7 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.285 -0.884 . . . . 0.0 109.176 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.22 -40.82 97.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.098 -1.001 . . . . 0.0 109.009 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -82.53 -2.42 53.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.503 -0.748 . . . . 0.0 109.831 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.0 tt0 -49.11 -34.94 15.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.175 -0.953 . . . . 0.0 109.846 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.561 HG23 ' HB2' ' A' ' 67' ' ' SER . 81.9 mt -68.44 -41.2 83.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 121.172 -0.955 . . . . 0.0 109.676 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.25 -5.47 9.23 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.518 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 90.77 -8.48 79.74 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -69.74 -47.07 64.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.236 -1.155 . . . . 0.0 109.648 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.561 ' HB2' HG23 ' A' ' 63' ' ' ILE . 18.3 m -69.22 -32.45 71.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.243 -0.911 . . . . 0.0 108.988 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 72' ' ' SER . 84.3 tt0 -57.23 -32.95 67.05 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.553 -0.717 . . . . 0.0 109.92 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.94 -37.91 83.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.133 -0.979 . . . . 0.0 109.961 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' ASP . 95.6 mt-10 -97.7 135.34 39.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.153 -0.967 . . . . 0.0 108.786 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' GLU . 85.9 m-20 48.88 44.1 21.93 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -58.28 -43.3 87.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.636 -0.665 . . . . 0.0 110.564 -178.602 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.585 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 90.6 m-20 -62.87 -48.09 80.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.985 -1.072 . . . . 0.0 110.116 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -72.6 -42.85 64.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.348 -0.845 . . . . 0.0 110.641 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.2 m -59.5 -46.22 89.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.107 -0.995 . . . . 0.0 110.174 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.406 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 99.1 mt -68.21 -37.95 81.42 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.207 -0.933 . . . . 0.0 109.807 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.585 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 64.8 m170 -61.11 -45.59 94.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.285 -0.884 . . . . 0.0 110.233 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.11 -49.94 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.103 -0.998 . . . . 0.0 110.251 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.435 ' HE3' ' HB3' ' A' ' 79' ' ' MET . 97.2 mmm -67.92 -46.34 71.79 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.072 -1.017 . . . . 0.0 110.233 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.591 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 57.8 t-20 -68.4 -44.52 74.9 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.179 -0.951 . . . . 0.0 111.293 -178.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 39.7 m -67.28 -48.12 68.61 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.049 -1.032 . . . . 0.0 112.0 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.9 mt -70.82 -33.88 71.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.926 -1.109 . . . . 0.0 111.32 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.9 mt -79.03 -42.21 23.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 120.885 -1.135 . . . . 0.0 111.072 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.591 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 67.4 m80 -75.52 -48.0 24.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.133 -0.979 . . . . 0.0 111.312 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -83.1 108.36 16.32 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.834 -1.166 . . . . 0.0 110.114 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.411 ' OE1' HD21 ' A' ' 134' ' ' LEU . 14.5 tt0 -61.97 -34.84 76.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.454 -0.779 . . . . 0.0 110.001 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.61 -42.13 87.45 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.092 -1.005 . . . . 0.0 109.675 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -63.29 -34.98 78.87 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.82 -42.66 66.75 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.25 -0.906 . . . . 0.0 109.485 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -60.27 -48.44 81.73 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.081 -1.012 . . . . 0.0 109.75 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.735 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -69.9 -41.14 79.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.298 -0.876 . . . . 0.0 108.932 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.735 ' N ' HD12 ' A' ' 91' ' ' ILE . 63.7 t80 -62.85 -48.67 78.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.25 -0.906 . . . . 0.0 108.656 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.667 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 72.1 mtm -65.77 -37.62 86.84 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.297 -0.877 . . . . 0.0 109.313 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.9 tp -61.4 -40.9 96.05 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.215 -0.928 . . . . 0.0 108.961 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -62.48 -42.27 99.37 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.442 -0.786 . . . . 0.0 109.299 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.546 ' CE2' HD22 ' A' ' 100' ' ' LEU . 67.7 t80 -63.38 -47.13 83.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.437 -0.789 . . . . 0.0 109.626 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.721 HG22 HD23 ' A' ' 127' ' ' LEU . 41.9 p -62.68 -43.28 99.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.248 -0.907 . . . . 0.0 109.6 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 59.8 ttp -63.92 -46.84 82.98 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.379 -0.826 . . . . 0.0 109.205 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 m -69.24 -42.03 76.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.843 . . . . 0.0 109.502 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.546 HD22 ' CE2' ' A' ' 96' ' ' PHE . 29.0 tp -67.43 -39.96 85.45 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.338 -0.851 . . . . 0.0 110.068 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.65 ' CE2' HD11 ' A' ' 105' ' ' LEU . 76.6 t80 -62.94 -48.39 79.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.27 -0.894 . . . . 0.0 110.642 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -63.79 -47.19 81.9 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.959 -1.088 . . . . 0.0 109.973 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.25 -37.68 88.19 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.258 -0.901 . . . . 0.0 109.37 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.584 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 38.8 tttp -61.74 -42.04 98.44 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.364 -0.835 . . . . 0.0 109.648 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.65 HD11 ' CE2' ' A' ' 101' ' ' TYR . 93.9 mt -59.98 -43.3 95.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.102 -0.999 . . . . 0.0 109.101 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -60.11 -37.67 80.71 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.174 -0.954 . . . . 0.0 109.074 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.59 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.3 mt-30 -62.87 -38.33 90.42 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.366 -0.834 . . . . 0.0 109.451 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.457 HD13 ' CE2' ' A' ' 157' ' ' TYR . 63.3 mt -63.71 -39.14 93.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.167 -0.958 . . . . 0.0 109.283 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -78.2 -53.12 7.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 110.39 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -82.13 -23.03 35.86 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.4 -0.812 . . . . 0.0 110.518 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.61 155.16 17.89 Favored Glycine 0 N--CA 1.493 2.476 0 C-N-CA 119.713 -1.232 . . . . 0.0 110.312 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -68.82 154.3 71.35 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.941 2.428 . . . . 0.0 111.869 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.588 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 13.0 m-90 -92.23 124.62 36.44 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.149 -0.97 . . . . 0.0 109.656 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.2 m-20 -134.5 166.64 22.42 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.422 -0.799 . . . . 0.0 109.485 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.402 ' H ' HG13 ' A' ' 115' ' ' VAL . 2.9 m -64.17 -31.87 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.244 -0.91 . . . . 0.0 109.393 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.8 mtm -59.34 -39.08 82.04 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.327 -0.858 . . . . 0.0 109.31 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.98 -37.72 88.45 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.227 -0.92 . . . . 0.0 109.12 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.575 ' HA ' HD12 ' A' ' 121' ' ' LEU . 20.5 mttp -59.67 -42.14 92.24 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.197 -0.939 . . . . 0.0 109.033 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -62.47 -40.61 97.21 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.335 -0.853 . . . . 0.0 109.235 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.584 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 96.8 p -65.63 -34.19 77.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.463 -0.773 . . . . 0.0 109.421 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 118' ' ' LYS . 34.1 mt -64.78 -42.01 95.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.29 -0.881 . . . . 0.0 109.434 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.706 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 90.8 m95 -63.13 -41.41 99.32 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.072 -1.017 . . . . 0.0 109.269 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.8 m -68.71 -41.14 79.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.294 -0.879 . . . . 0.0 109.643 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 91.6 m -62.32 -49.42 75.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.19 -0.944 . . . . 0.0 109.732 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.75 -41.91 90.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 121.216 -0.928 . . . . 0.0 109.355 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.497 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.3 m-20 -61.18 -39.16 89.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.363 -0.836 . . . . 0.0 109.649 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.721 HD23 HG22 ' A' ' 97' ' ' THR . 44.4 tp -61.23 -44.95 96.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 109.452 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.527 ' HZ ' HD23 ' A' ' 147' ' ' LEU . 48.4 t80 -69.12 -43.11 75.08 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.295 -0.878 . . . . 0.0 109.295 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.6 m -62.02 -38.45 88.71 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.366 -0.834 . . . . 0.0 109.822 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.661 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 72.6 m -63.41 -49.3 74.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.21 -0.931 . . . . 0.0 109.364 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.63 -43.77 98.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 O-C-N 121.188 -0.945 . . . . 0.0 109.289 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.835 HD21 ' NE2' ' A' ' 148' ' ' GLN . 61.7 tp -62.56 -40.23 96.17 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.544 -0.723 . . . . 0.0 110.329 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -62.14 -49.33 76.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.13 -0.981 . . . . 0.0 110.458 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.411 HD21 ' OE1' ' A' ' 86' ' ' GLN . 35.1 tp -65.52 -43.9 88.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.036 -1.04 . . . . 0.0 110.374 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -86.93 2.39 49.46 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.248 -0.907 . . . . 0.0 110.556 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -37.52 63.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.111 -0.993 . . . . 0.0 109.519 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.01 -25.34 65.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.908 . . . . 0.0 110.024 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -89.07 -5.96 57.47 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.09 -1.006 . . . . 0.0 110.67 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.1 147.19 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.227 -0.92 . . . . 0.0 109.902 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 55.4 p -77.13 155.56 32.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.421 -0.799 . . . . 0.0 109.538 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.07 -40.36 89.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.823 . . . . 0.0 110.158 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 27.7 m -67.13 -45.2 77.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.729 -1.232 . . . . 0.0 109.076 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.9 m -59.83 -39.63 85.74 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.91 -38.85 87.19 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -56.04 -44.57 78.94 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.494 -0.754 . . . . 0.0 109.356 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.9 m -61.16 -50.51 72.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.203 -0.936 . . . . 0.0 109.981 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 147' ' ' LEU . 10.3 mp -66.26 -38.72 88.5 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.128 -0.983 . . . . 0.0 109.215 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.835 ' NE2' HD21 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -63.06 -38.83 92.73 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.235 -0.916 . . . . 0.0 109.434 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -62.49 -39.2 92.71 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.948 -1.095 . . . . 0.0 108.905 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.15 -40.32 85.17 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.168 -0.957 . . . . 0.0 108.61 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.8 mm -60.96 -40.59 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.361 -0.837 . . . . 0.0 108.854 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -57.49 -41.69 81.21 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.608 ' HA ' HD12 ' A' ' 156' ' ' ILE . 73.6 t80 -57.97 -42.62 85.43 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' CYS . . . . . 0.423 ' HG ' ' HE1' ' A' ' 101' ' ' TYR . 5.1 m -62.77 -49.96 72.92 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -62.42 -33.83 75.57 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.505 -0.747 . . . . 0.0 109.41 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 153' ' ' TYR . 19.7 mt -57.89 -48.08 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 O-C-N 121.196 -0.94 . . . . 0.0 109.861 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.588 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 54.2 t80 -63.13 -41.0 99.22 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.706 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 48.2 tp -59.91 -40.11 87.72 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.754 -0.591 . . . . 0.0 109.46 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.8 m -61.87 -42.03 98.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 0.0 109.757 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.568 ' HZ1' ' HA2' ' A' ' 167' ' ' GLY . 55.5 mtmt -61.5 -40.56 95.02 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.112 -0.993 . . . . 0.0 109.228 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.437 HD11 ' CE2' ' A' ' 157' ' ' TYR . 10.3 mp -66.52 -35.16 79.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.265 -0.897 . . . . 0.0 109.087 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.83 81.56 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.286 -0.884 . . . . 0.0 109.073 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -81.66 -12.02 58.85 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.342 -0.849 . . . . 0.0 109.264 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.11 -3.91 73.73 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -95.09 144.05 26.05 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.225 -1.162 . . . . 0.0 109.705 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 39.4 mm -117.31 134.99 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.491 -0.755 . . . . 0.0 109.425 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' GLY . . . . . 0.568 ' HA2' ' HZ1' ' A' ' 160' ' ' LYS . . . . . . . . 0 N--CA 1.49 2.282 0 CA-C-O 117.976 -1.458 . . . . 0.0 109.502 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 177' ' ' VAL . . . . . 0.415 ' H ' HG23 ' B' ' 177' ' ' VAL . 2.3 t -67.94 135.62 91.98 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.853 . . . . 0.0 109.075 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 178' ' ' PRO . . . . . 0.489 ' O ' ' O ' ' B' ' 179' ' ' GLU . 26.1 Cg_endo -65.89 146.96 84.45 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.895 1.73 . . . . 0.0 112.215 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 179' ' ' GLU . . . . . 0.489 ' O ' ' O ' ' B' ' 178' ' ' PRO . 84.4 tt0 41.98 94.71 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.353 -0.842 . . . . 0.0 109.7 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 15.3 tt -121.79 136.14 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.519 -0.738 . . . . 0.0 109.349 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -88.44 141.56 28.44 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.203 -0.935 . . . . 0.0 109.599 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -63.94 -26.55 68.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.286 -0.884 . . . . 0.0 109.378 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -56.91 -32.77 66.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.291 -0.88 . . . . 0.0 109.526 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -54.74 -34.52 62.63 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.199 -0.938 . . . . 0.0 109.395 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 42.4 t -118.24 137.27 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.422 -0.798 . . . . 0.0 109.481 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -100.79 156.21 17.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.266 -0.896 . . . . 0.0 109.442 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 62.3 t -61.59 -42.19 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.322 -0.861 . . . . 0.0 109.556 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.7 -34.74 74.82 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.974 -1.079 . . . . 0.0 109.599 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -58.17 -46.97 84.8 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.314 -0.866 . . . . 0.0 110.668 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.97 -42.04 77.13 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.11 -0.993 . . . . 0.0 110.328 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -58.34 -41.69 85.18 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.743 -1.223 . . . . 0.0 109.498 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.3 -38.72 91.11 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.123 -0.986 . . . . 0.0 109.207 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -61.03 -40.66 94.43 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.283 -0.885 . . . . 0.0 109.036 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -61.41 -42.18 98.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.323 -0.861 . . . . 0.0 109.358 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 195' ' ' LEU . . . . . 0.561 HD11 HD22 ' A' ' 53' ' ' LEU . 36.1 tp -59.68 -40.04 86.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.235 -0.916 . . . . 0.0 109.268 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.08 97.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.334 -0.854 . . . . 0.0 109.389 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -65.17 -35.67 81.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.239 -0.913 . . . . 0.0 109.244 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 198' ' ' ARG . . . . . 0.534 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 79.3 ttt180 -60.82 -42.98 98.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.276 -0.89 . . . . 0.0 109.158 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 199' ' ' LEU . . . . . 0.694 HD22 HG21 ' A' ' 32' ' ' VAL . 2.9 tp -62.42 -43.19 99.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.205 -0.934 . . . . 0.0 109.144 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -59.18 -36.78 75.94 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.349 -0.845 . . . . 0.0 108.921 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.7 -36.51 83.84 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.311 -0.868 . . . . 0.0 108.683 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 202' ' ' LEU . . . . . 0.508 ' CD2' HG21 ' A' ' 56' ' ' ILE . 9.6 tp -59.98 -39.02 84.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.404 -0.81 . . . . 0.0 108.879 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -87.4 -10.5 51.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.347 -0.846 . . . . 0.0 109.251 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 CA-C-O 117.995 -1.447 . . . . 0.0 109.545 179.847 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.532 ' N ' ' OD1' ' A' ' 4' ' ' ASN . 87.8 mtp . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.386 0.612 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.674 ' HB1' ' CE ' ' A' ' 45' ' ' MET . . . -57.39 -37.74 73.17 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.101 -0.999 . . . . 0.0 108.896 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.9 p -64.25 -37.5 87.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.272 -0.892 . . . . 0.0 109.178 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 1' ' ' MET . 8.7 m120 -58.58 -41.69 86.31 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.996 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.21 -40.15 96.65 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.56 96.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.507 -0.745 . . . . 0.0 109.361 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.432 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.1 -41.71 93.13 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.172 -0.955 . . . . 0.0 108.727 179.758 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.442 ' CG1' HD13 ' A' ' 27' ' ' LEU . 53.7 t -61.05 -37.04 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.431 -0.793 . . . . 0.0 109.013 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.4 t -60.39 -37.96 76.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.63 98.88 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.6 p -68.61 -35.48 77.38 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.613 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -57.15 -45.45 83.59 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -62.59 -39.28 93.22 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 18' ' ' VAL . 56.0 t0 -59.5 -41.5 90.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.339 -0.851 . . . . 0.0 109.562 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -62.96 -40.52 97.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.175 -0.953 . . . . 0.0 109.535 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.486 ' OD1' ' OE2' ' A' ' 62' ' ' GLU . 61.0 t0 -58.57 -39.92 81.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.173 -0.954 . . . . 0.0 108.853 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -62.14 -31.26 71.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.361 -0.837 . . . . 0.0 109.269 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 14' ' ' ASP . 15.1 t -84.01 -14.22 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.297 -0.877 . . . . 0.0 109.643 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.64 12.38 62.68 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 20' ' ' LEU . 11.0 mp -95.72 54.62 1.56 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.298 -1.119 . . . . 0.0 109.042 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.08 -29.14 55.29 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mm -58.32 -50.1 79.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.147 -1.207 . . . . 0.0 109.545 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -62.8 -44.94 99.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.212 -0.93 . . . . 0.0 108.814 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.45 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.62 -38.11 93.25 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.416 -1.473 . . . . 0.0 109.416 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.787 ' CE2' HD11 ' A' ' 29' ' ' LEU . 72.9 t80 -60.74 -47.95 84.01 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.096 -1.238 . . . . 0.0 110.622 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' SD ' ' A' ' 93' ' ' MET . 77.0 t80 -64.31 -47.18 80.42 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.041 -1.037 . . . . 0.0 111.497 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 12' ' ' ALA . 3.3 pp -70.65 -34.13 71.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.668 -1.27 . . . . 0.0 110.363 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -60.31 -41.14 92.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.578 -1.326 . . . . 0.0 108.55 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.787 HD11 ' CE2' ' A' ' 25' ' ' TYR . 74.5 mt -62.26 -40.54 96.55 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.634 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 74.6 t80 -66.43 -35.99 81.68 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.33 -0.857 . . . . 0.0 109.267 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.78 90.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.319 -0.863 . . . . 0.0 110.105 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.695 HG21 HD22 ' B' ' 199' ' ' LEU . 1.8 p -67.27 -43.81 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.91 -1.119 . . . . 0.0 108.996 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -60.76 -34.4 74.39 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.017 -1.052 . . . . 0.0 108.559 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.996 HD23 ' HB2' ' A' ' 5' ' ' ALA . 35.2 tp -63.05 -47.53 82.58 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.417 -0.802 . . . . 0.0 109.901 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.7 mt -59.32 -44.96 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.183 -0.948 . . . . 0.0 110.424 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.441 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.0 mp -62.56 -34.43 76.93 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.305 -0.872 . . . . 0.0 110.022 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.4 p -71.98 -25.88 62.03 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.981 -1.074 . . . . 0.0 109.718 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.59 ' OE1' ' NH1' ' A' ' 41' ' ' ARG . 98.8 mt-10 -68.08 150.17 48.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.324 -0.86 . . . . 0.0 110.248 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -57.18 151.13 16.13 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.443 -0.786 . . . . 0.0 109.124 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -57.54 136.39 56.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.291 -0.88 . . . . 0.0 110.113 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.59 ' NH1' ' OE1' ' A' ' 38' ' ' GLU . 78.8 mtt85 -122.38 171.45 9.06 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.1 m -56.7 167.42 0.75 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.224 -0.922 . . . . 0.0 109.96 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -55.6 -33.35 63.88 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.486 -0.759 . . . . 0.0 111.017 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.51 -43.13 55.67 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.811 -1.181 . . . . 0.0 109.202 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.674 ' CE ' ' HB1' ' A' ' 2' ' ' ALA . 6.6 tpt -65.26 -38.87 91.63 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.199 -0.938 . . . . 0.0 108.693 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.58 HG21 ' OE2' ' B' ' 192' ' ' GLU . 33.1 m -59.93 -39.94 87.22 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.482 -0.761 . . . . 0.0 109.269 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.7 98.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.338 -0.851 . . . . 0.0 108.749 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.506 HD23 ' CE ' ' A' ' 45' ' ' MET . 32.2 tp -61.36 -39.9 92.31 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.326 -0.859 . . . . 0.0 108.999 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.31 90.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.284 -0.885 . . . . 0.0 109.324 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.7 m -60.74 -41.29 95.09 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.224 -0.922 . . . . 0.0 109.183 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.2 -39.22 94.01 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.272 -0.893 . . . . 0.0 109.415 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.6 tp -59.99 -44.61 94.39 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.297 -0.877 . . . . 0.0 109.576 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.814 HD12 HD12 ' A' ' 56' ' ' ILE . 40.3 tp -61.65 -37.91 85.75 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.165 -0.959 . . . . 0.0 108.603 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -59.48 -38.55 81.14 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.282 -1.006 . . . . 0.0 108.282 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' PHE . 44.7 m -60.13 -42.32 94.54 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.814 HD12 HD12 ' A' ' 53' ' ' LEU . 82.1 mt -57.52 -52.87 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.205 -0.935 . . . . 0.0 108.687 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -61.05 -36.8 80.54 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.9 -32.53 73.85 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' THR . 76.9 t80 -58.63 -51.09 71.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.395 -0.816 . . . . 0.0 108.88 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.445 ' HE2' HD11 ' B' ' 202' ' ' LEU . 13.5 mttp -61.04 -38.72 87.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.179 -0.951 . . . . 0.0 108.829 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -81.74 -1.44 47.11 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.5 -0.75 . . . . 0.0 109.496 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.486 ' OE2' ' OD1' ' A' ' 16' ' ' ASP . 87.7 tt0 -48.54 -33.24 9.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.406 -0.809 . . . . 0.0 110.236 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.932 HD11 ' SD ' ' A' ' 79' ' ' MET . 76.6 mt -67.52 -40.92 85.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 120.985 -1.072 . . . . 0.0 109.721 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.61 -0.33 35.51 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.436 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 94.17 -2.9 69.12 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.34 -46.73 82.2 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.163 -1.198 . . . . 0.0 109.781 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 70' ' ' GLU . 14.8 m -65.65 -33.05 74.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.164 -0.96 . . . . 0.0 108.848 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.95 -28.24 68.83 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.604 -0.685 . . . . 0.0 109.615 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.24 95.84 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.926 -1.109 . . . . 0.0 110.066 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.4 mt-10 -134.87 145.28 48.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.308 -0.87 . . . . 0.0 110.005 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 48.76 42.33 19.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.224 -0.923 . . . . 0.0 109.233 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.7 p -64.04 -37.51 87.71 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.386 -0.821 . . . . 0.0 110.278 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.41 -43.39 98.94 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.964 -1.085 . . . . 0.0 109.755 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -68.73 -47.57 65.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.274 -0.891 . . . . 0.0 110.588 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.4 m -62.97 -44.69 95.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.093 -1.005 . . . . 0.0 110.054 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.3 -39.83 81.93 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.315 -0.865 . . . . 0.0 110.278 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -61.3 -45.28 95.11 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.222 -0.924 . . . . 0.0 110.442 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 72.0 t -67.35 -49.41 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.056 -1.028 . . . . 0.0 110.193 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.932 ' SD ' HD11 ' A' ' 63' ' ' ILE . 89.1 mtp -67.71 -46.49 72.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.088 -1.007 . . . . 0.0 110.636 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.516 ' O ' ' CG ' ' A' ' 84' ' ' HIS . 79.8 m-20 -66.54 -40.93 89.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.127 -0.983 . . . . 0.0 110.771 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.5 m -70.42 -49.16 51.68 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.179 -0.951 . . . . 0.0 111.45 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.3 mt -71.74 -34.33 69.42 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.923 -1.111 . . . . 0.0 111.114 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.9 mt -79.25 -41.81 23.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 120.944 -1.097 . . . . 0.0 110.859 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 6.9 m-70 -67.6 -48.28 67.28 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.026 -1.046 . . . . 0.0 111.006 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -88.02 113.5 23.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.064 -1.022 . . . . 0.0 110.249 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -61.64 -37.1 82.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.36 -0.838 . . . . 0.0 110.031 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.38 -41.84 94.62 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.072 -1.017 . . . . 0.0 109.636 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -62.2 -33.04 73.8 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.162 -0.961 . . . . 0.0 108.673 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.6 -42.46 74.39 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.33 -0.856 . . . . 0.0 109.7 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -66.18 -48.13 71.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.922 . . . . 0.0 110.632 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.82 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -63.89 -45.21 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.809 -1.182 . . . . 0.0 108.853 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.82 ' N ' HD12 ' A' ' 91' ' ' ILE . 67.0 t80 -64.69 -45.14 87.91 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.528 ' SD ' ' CD2' ' A' ' 26' ' ' TYR . 27.5 ttp -68.23 -42.32 79.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.577 -0.702 . . . . 0.0 109.914 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.5 tp -61.6 -40.67 95.63 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.142 -0.974 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -60.69 -48.33 82.27 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.198 -0.939 . . . . 0.0 109.506 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -70.88 -45.45 64.34 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.411 -0.806 . . . . 0.0 109.329 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.2 m -57.46 -43.51 84.07 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.439 -0.788 . . . . 0.0 109.788 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 91.4 mmm -66.98 -43.25 83.51 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.069 -1.019 . . . . 0.0 109.491 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.7 p -67.79 -36.4 80.38 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.273 -0.892 . . . . 0.0 109.083 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 31.5 tp -63.63 -42.02 98.2 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.427 -0.796 . . . . 0.0 109.227 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.621 ' CE2' HD11 ' A' ' 105' ' ' LEU . 80.0 t80 -60.88 -43.59 98.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.483 -0.76 . . . . 0.0 109.575 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -58.71 -41.08 85.48 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.281 -0.887 . . . . 0.0 109.578 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.67 -39.23 93.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.401 -0.812 . . . . 0.0 109.715 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -61.15 -41.41 96.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.103 -0.998 . . . . 0.0 109.397 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.621 HD11 ' CE2' ' A' ' 101' ' ' TYR . 79.0 mt -60.24 -45.05 94.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.212 -0.93 . . . . 0.0 109.402 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -60.85 -39.29 88.57 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.15 -0.969 . . . . 0.0 109.717 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.579 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -61.76 -39.37 91.4 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.215 -0.928 . . . . 0.0 109.986 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 157' ' ' TYR . 78.1 mt -63.7 -44.28 94.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.008 -1.057 . . . . 0.0 109.553 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -79.02 -52.73 7.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.261 -0.899 . . . . 0.0 110.142 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -77.73 -23.33 49.4 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.371 -0.831 . . . . 0.0 110.337 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -112.56 155.46 16.24 Favored Glycine 0 N--CA 1.495 2.581 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -68.11 154.15 73.16 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.876 2.384 . . . . 0.0 111.844 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.571 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 30.1 m-90 -87.1 120.86 28.82 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.075 -1.016 . . . . 0.0 109.784 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.4 m-20 -134.61 166.76 22.17 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.343 -0.848 . . . . 0.0 109.28 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.5 m -64.04 -32.28 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.243 -0.911 . . . . 0.0 109.372 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.4 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.8 mtm -59.79 -41.5 91.29 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.303 -0.873 . . . . 0.0 109.454 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 67.2 mt -66.06 -37.02 84.77 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.246 -0.909 . . . . 0.0 109.178 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.54 ' HE2' HD12 ' A' ' 161' ' ' LEU . 54.8 mttt -57.79 -44.32 86.2 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.16 -0.963 . . . . 0.0 109.056 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -64.17 -40.05 95.29 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.416 -0.803 . . . . 0.0 109.482 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.5 m -61.79 -39.43 91.68 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.311 -0.868 . . . . 0.0 109.408 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.583 HD23 HD13 ' A' ' 158' ' ' LEU . 23.9 tp -63.63 -41.77 98.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.404 -0.81 . . . . 0.0 109.419 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.418 ' CE2' HD21 ' A' ' 158' ' ' LEU . 71.2 m95 -59.83 -39.71 86.01 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.131 -0.981 . . . . 0.0 109.493 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.7 m -63.35 -44.05 95.94 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.241 -0.912 . . . . 0.0 109.585 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 78.3 m -61.31 -46.97 88.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.175 -0.953 . . . . 0.0 109.454 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.19 -37.84 74.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.179 -0.951 . . . . 0.0 108.926 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -58.59 -39.9 81.7 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.271 -0.893 . . . . 0.0 108.955 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.53 -42.42 99.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.308 -0.87 . . . . 0.0 109.351 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -67.29 -42.72 83.3 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.146 -0.971 . . . . 0.0 109.827 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 133' ' ' HIS . 22.9 t -63.67 -43.44 96.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.228 -0.92 . . . . 0.0 110.059 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.634 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 60.2 m -68.31 -49.54 59.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.028 -1.045 . . . . 0.0 110.234 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 93.7 mt -65.97 -50.34 70.46 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.204 -0.935 . . . . 0.0 110.403 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.696 HD21 HE22 ' A' ' 148' ' ' GLN . 41.0 tp -65.51 -42.04 92.49 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.35 -0.844 . . . . 0.0 110.419 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' HIS . . . . . 0.436 ' CB ' ' O ' ' A' ' 129' ' ' SER . 22.7 t-80 -61.07 -49.58 76.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.089 -1.007 . . . . 0.0 110.477 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 134' ' ' LEU . 34.8 tp -64.99 -43.54 92.24 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.05 -1.031 . . . . 0.0 109.728 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -87.21 0.92 54.6 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.4 -0.812 . . . . 0.0 110.354 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -52.26 -38.46 58.27 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.129 -0.982 . . . . 0.0 109.998 -179.416 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.84 -25.12 68.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.152 -0.967 . . . . 0.0 109.48 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -89.57 -4.53 57.82 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.231 -0.918 . . . . 0.0 110.21 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.2 mm -104.57 145.99 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.15 -0.969 . . . . 0.0 109.206 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 55.7 p -77.4 155.54 31.77 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.233 -0.917 . . . . 0.0 109.139 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.51 -37.97 73.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.231 -0.918 . . . . 0.0 109.717 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.0 m -74.0 -45.25 51.09 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.89 -1.131 . . . . 0.0 109.502 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.3 m -63.81 -45.51 89.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.892 . . . . 0.0 109.646 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.584 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.7 OUTLIER -62.04 -39.16 91.38 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.128 -0.982 . . . . 0.0 108.477 179.387 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ASN . . . . . 0.426 ' N ' ' CG2' ' A' ' 144' ' ' THR . 18.4 t-20 -56.48 -42.37 78.14 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.348 -0.845 . . . . 0.0 109.063 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.1 m -61.53 -44.79 96.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.3 -0.875 . . . . 0.0 109.675 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 147' ' ' LEU . 7.0 mp -62.37 -38.95 91.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.141 -0.975 . . . . 0.0 108.695 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.696 HE22 HD21 ' A' ' 132' ' ' LEU . 0.2 OUTLIER -62.2 -36.82 83.09 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.342 -0.849 . . . . 0.0 109.058 179.3 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -62.27 -42.03 98.99 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.281 -0.887 . . . . 0.0 109.713 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -62.71 -42.45 99.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.088 -1.007 . . . . 0.0 108.976 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.505 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 89.1 mt -65.23 -40.67 89.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -58.55 -39.94 81.65 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.568 ' HA ' HD12 ' A' ' 156' ' ' ILE . 77.0 t80 -58.12 -42.73 86.38 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' CYS . . . . . 0.681 ' SG ' ' N ' ' A' ' 155' ' ' LYS . 1.6 p -64.68 -48.76 73.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.256 -0.903 . . . . 0.0 108.724 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' LYS . . . . . 0.681 ' N ' ' SG ' ' A' ' 154' ' ' CYS . 74.9 mttt -61.75 -35.07 77.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.235 -0.916 . . . . 0.0 109.043 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 153' ' ' TYR . 21.3 mt -58.33 -48.52 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 O-C-N 121.288 -0.882 . . . . 0.0 109.731 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.571 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 58.8 t80 -63.66 -40.91 98.02 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.583 HD13 HD23 ' A' ' 121' ' ' LEU . 30.6 tp -60.24 -40.43 90.24 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.64 -0.663 . . . . 0.0 109.22 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.3 t -60.46 -39.58 88.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.21 -0.931 . . . . 0.0 108.677 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.541 ' NZ ' ' OXT' ' A' ' 167' ' ' GLY . 15.8 mtpt -61.51 -37.37 83.45 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.54 HD12 ' HE2' ' A' ' 118' ' ' LYS . 3.1 mm? -61.88 -38.16 87.28 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.53 86.91 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.425 -0.797 . . . . 0.0 109.111 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -81.77 -12.09 58.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.303 -0.873 . . . . 0.0 109.37 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.61 3.61 77.44 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -94.73 145.71 24.68 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.212 -1.169 . . . . 0.0 109.69 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.489 ' O ' ' OXT' ' A' ' 167' ' ' GLY . 41.6 mm -118.42 134.18 62.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.481 -0.762 . . . . 0.0 109.456 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' GLY . . . . . 0.541 ' OXT' ' NZ ' ' A' ' 160' ' ' LYS . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 117.91 -1.494 . . . . 0.0 109.549 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.278 0.561 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 1.1 t -67.84 143.71 96.72 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.27 -0.894 . . . . 0.0 108.96 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -59.58 139.11 87.53 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.1 1.867 . . . . 0.0 112.237 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 179' ' ' GLU . . . . . 0.491 ' O ' ' O ' ' B' ' 182' ' ' ALA . 97.1 mt-10 -65.89 -27.63 68.35 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.452 -0.78 . . . . 0.0 110.101 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 34.7 mm -51.61 -43.93 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.122 -0.986 . . . . 0.0 109.98 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -59.35 -33.88 71.69 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.041 -1.037 . . . . 0.0 109.662 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 182' ' ' ALA . . . . . 0.491 ' O ' ' O ' ' B' ' 179' ' ' GLU . . . -101.23 147.74 25.92 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.251 -0.905 . . . . 0.0 109.545 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -83.33 141.64 31.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.148 -0.97 . . . . 0.0 109.444 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -58.61 143.18 47.17 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.231 -0.918 . . . . 0.0 109.556 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 185' ' ' VAL . . . . . 0.531 HG13 ' N ' ' B' ' 186' ' ' ASN . 13.8 p -150.66 -41.71 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.194 -0.941 . . . . 0.0 109.365 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 186' ' ' ASN . . . . . 0.531 ' N ' HG13 ' B' ' 185' ' ' VAL . 86.0 m-20 -55.42 -32.12 62.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.346 -0.846 . . . . 0.0 109.521 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 53.5 t -57.92 -41.61 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -0.906 . . . . 0.0 109.973 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.652 ' OD1' ' N ' ' B' ' 189' ' ' ASP . 40.4 p30 -64.05 -27.05 68.85 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.857 -1.152 . . . . 0.0 109.578 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 189' ' ' ASP . . . . . 0.652 ' N ' ' OD1' ' B' ' 188' ' ' ASP . 39.1 t0 -61.16 -47.4 86.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.156 -0.965 . . . . 0.0 109.92 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.53 -42.77 74.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.307 -0.871 . . . . 0.0 110.201 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -57.93 -43.16 86.14 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.809 -1.182 . . . . 0.0 109.708 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 192' ' ' GLU . . . . . 0.58 ' OE2' HG21 ' A' ' 46' ' ' THR . 98.7 mt-10 -65.69 -38.35 88.99 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.14 -0.975 . . . . 0.0 109.135 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -61.75 -40.6 95.69 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.23 -0.919 . . . . 0.0 109.073 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -61.3 -42.14 98.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.333 -0.854 . . . . 0.0 109.381 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 195' ' ' LEU . . . . . 0.655 HD11 HD23 ' A' ' 53' ' ' LEU . 22.8 tp -59.22 -43.24 92.33 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.261 -0.899 . . . . 0.0 109.153 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.27 95.47 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.389 -0.82 . . . . 0.0 109.028 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.12 -35.29 80.65 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.348 -0.845 . . . . 0.0 109.091 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -60.07 -44.15 94.96 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 109.093 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 199' ' ' LEU . . . . . 0.695 HD22 HG21 ' A' ' 32' ' ' VAL . 8.1 tp -63.27 -43.01 99.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.194 -0.942 . . . . 0.0 109.21 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -59.02 -36.77 75.54 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.324 -0.86 . . . . 0.0 109.356 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.64 89.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.148 -0.97 . . . . 0.0 108.608 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 202' ' ' LEU . . . . . 0.445 HD11 ' HE2' ' A' ' 60' ' ' LYS . 13.7 tp -61.48 -38.49 87.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.526 -0.733 . . . . 0.0 109.197 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -87.7 -7.27 57.6 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.41 -0.806 . . . . 0.0 109.454 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 CA-C-O 117.911 -1.494 . . . . 0.0 109.531 179.912 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mtp . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.314 0.578 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.19 83.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.214 -0.929 . . . . 0.0 109.192 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.9 p -64.47 -34.92 79.33 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.156 -0.965 . . . . 0.0 108.947 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -58.94 -42.36 89.6 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.795 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.91 -39.75 94.89 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.17 95.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.414 -0.804 . . . . 0.0 109.226 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -41.53 93.26 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.48 -37.15 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.461 -0.775 . . . . 0.0 109.045 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.83 -37.81 77.4 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.73 98.44 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.1 p -68.94 -33.42 73.69 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.403 -0.811 . . . . 0.0 108.822 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -58.92 -44.96 91.39 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.339 -0.851 . . . . 0.0 109.075 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -63.43 -44.7 93.79 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.242 -0.911 . . . . 0.0 108.993 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -61.79 -40.27 94.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.387 -0.821 . . . . 0.0 109.168 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.01 -41.71 98.36 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.463 -0.773 . . . . 0.0 109.244 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -58.8 -38.6 78.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.279 -0.888 . . . . 0.0 108.77 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -60.46 -29.34 68.98 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 18' ' ' VAL . 59.1 t -83.52 -10.95 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.413 -0.804 . . . . 0.0 109.61 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.4 18.22 53.23 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.8 mt -95.7 54.23 1.52 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -1.127 . . . . 0.0 109.119 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.07 -34.44 66.23 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 22' ' ' ILE . 9.3 mm -61.33 -51.64 70.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.124 -1.221 . . . . 0.0 109.756 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.2 mm -64.88 -44.14 96.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.31 -0.868 . . . . 0.0 109.304 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.533 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.18 -38.91 93.83 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.89 ' CE2' HD11 ' A' ' 29' ' ' LEU . 72.8 t80 -63.96 -47.43 80.47 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.041 -1.27 . . . . 0.0 110.765 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.655 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 54.0 t80 -60.59 -46.62 89.57 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.195 -0.941 . . . . 0.0 111.455 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.533 HD21 ' HA2' ' A' ' 24' ' ' GLY . 2.2 pp -67.56 -34.13 76.44 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.717 -1.239 . . . . 0.0 110.232 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.918 ' NE2' HD11 ' A' ' 52' ' ' LEU . 25.5 mm100 -60.08 -39.99 88.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.601 -1.312 . . . . 0.0 108.215 178.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.89 HD11 ' CE2' ' A' ' 25' ' ' TYR . 90.6 mt -61.93 -39.19 91.21 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.657 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 87.6 t80 -64.82 -38.29 90.49 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.51 -0.744 . . . . 0.0 109.848 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.3 -45.91 92.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.191 -0.943 . . . . 0.0 110.106 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.618 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -66.88 -44.64 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.927 -1.108 . . . . 0.0 109.266 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.61 -34.14 73.8 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.047 -1.033 . . . . 0.0 108.746 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.795 HD23 ' HB2' ' A' ' 5' ' ' ALA . 22.3 tp -63.88 -42.68 97.42 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.281 -0.887 . . . . 0.0 109.418 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.11 -47.28 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.267 -0.895 . . . . 0.0 109.9 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.9 mp -62.8 -35.4 79.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.195 -0.941 . . . . 0.0 109.261 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.9 t -84.26 -0.75 53.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -0.902 . . . . 0.0 108.794 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' HG2' ' HE ' ' A' ' 41' ' ' ARG . 49.0 tp10 -86.29 150.77 24.12 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.612 -0.68 . . . . 0.0 109.822 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -55.98 151.46 11.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.327 -0.858 . . . . 0.0 109.146 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -57.84 129.52 42.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 110.263 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.445 ' HE ' ' HG2' ' A' ' 38' ' ' GLU . 95.5 mtt-85 -122.07 170.63 9.66 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.3 p -57.76 163.57 2.52 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.198 -0.939 . . . . 0.0 109.749 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -57.6 -27.65 62.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.642 -0.661 . . . . 0.0 110.89 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -52.99 -45.39 67.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.786 -1.196 . . . . 0.0 109.799 -178.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 50.0 tpp -68.36 -36.93 79.96 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.95 -1.094 . . . . 0.0 108.921 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.1 m -59.67 -40.94 89.46 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.413 -0.804 . . . . 0.0 109.13 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.56 97.91 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.257 -0.902 . . . . 0.0 108.826 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.2 tp -60.11 -39.26 85.58 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.346 -0.847 . . . . 0.0 109.201 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.86 92.66 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.347 -0.846 . . . . 0.0 109.25 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 m -60.43 -41.65 94.45 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.217 -0.927 . . . . 0.0 108.952 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.86 -38.08 86.91 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.349 -0.845 . . . . 0.0 108.877 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.918 HD11 ' NE2' ' A' ' 28' ' ' GLN . 32.9 tp -59.79 -42.85 94.3 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.289 -0.882 . . . . 0.0 109.261 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.451 HD12 HD12 ' A' ' 56' ' ' ILE . 37.3 tp -61.26 -38.99 88.7 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.221 -0.924 . . . . 0.0 108.715 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -59.6 -39.55 84.58 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 59' ' ' PHE . 53.3 m -60.42 -41.8 94.71 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.633 -0.667 . . . . 0.0 109.385 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.451 HD12 HD12 ' A' ' 53' ' ' LEU . 87.7 mt -61.58 -54.42 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.208 -0.932 . . . . 0.0 109.162 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' OE2' ' NZ ' ' A' ' 61' ' ' LYS . 85.0 tt0 -63.32 -39.44 94.55 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.43 -31.66 70.14 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.484 -0.76 . . . . 0.0 108.983 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 55' ' ' THR . 70.3 t80 -59.02 -54.35 48.08 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.325 -0.859 . . . . 0.0 109.754 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.486 ' HE3' HD11 ' B' ' 202' ' ' LEU . 25.4 mttt -62.82 -44.14 96.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.078 -1.014 . . . . 0.0 109.594 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.429 ' NZ ' ' OE2' ' A' ' 57' ' ' GLU . 18.4 mttt -83.15 -2.48 55.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.418 -0.801 . . . . 0.0 110.521 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 58' ' ' ALA . 84.5 tt0 -49.33 -36.56 21.61 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.077 -1.015 . . . . 0.0 109.543 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.603 ' CD1' HD21 ' A' ' 76' ' ' LEU . 92.7 mt -78.54 -41.21 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.801 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.82 -6.05 59.98 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.54 -8.47 77.22 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -69.08 -42.7 75.85 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.127 -1.219 . . . . 0.0 109.809 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.0 t -61.21 -22.25 64.59 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.401 -0.812 . . . . 0.0 110.112 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -52.8 -27.82 19.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.195 -0.941 . . . . 0.0 109.355 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.56 -26.85 34.66 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.11 -0.994 . . . . 0.0 108.918 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.601 ' O ' ' N ' ' A' ' 72' ' ' SER . 95.4 mt-10 -108.43 176.69 5.03 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.541 -0.724 . . . . 0.0 109.711 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' GLU . 92.4 m-20 -43.12 -15.22 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.484 -0.76 . . . . 0.0 109.92 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.601 ' N ' ' O ' ' A' ' 70' ' ' GLU . 1.8 t -50.41 -32.13 16.84 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.988 -1.07 . . . . 0.0 108.73 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.402 ' HA ' HD12 ' A' ' 76' ' ' LEU . 56.7 t0 -58.57 -41.46 85.75 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -60.77 -40.71 93.58 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -60.47 -37.4 80.88 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.603 HD21 ' CD1' ' A' ' 63' ' ' ILE . 97.3 mt -60.34 -40.33 90.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.351 -0.843 . . . . 0.0 109.023 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -60.72 -45.38 94.49 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.092 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.66 -48.93 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.28 -0.888 . . . . 0.0 109.89 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 89.3 mtp -66.93 -45.36 78.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.314 -0.866 . . . . 0.0 110.433 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.511 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 84.5 m-20 -63.02 -39.87 96.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.024 -1.048 . . . . 0.0 110.58 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.529 HG23 ' HZ2' ' A' ' 88' ' ' LYS . 63.2 m -64.75 -48.47 74.45 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.066 -1.021 . . . . 0.0 111.185 -178.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.1 mt -72.88 -34.08 66.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.054 -1.029 . . . . 0.0 110.974 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.9 mt -77.53 -41.54 29.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.0 -1.062 . . . . 0.0 111.062 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.511 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 64.5 m80 -67.52 -47.68 69.25 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.065 -1.022 . . . . 0.0 111.044 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -84.15 115.33 22.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.872 -1.143 . . . . 0.0 110.138 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -61.9 -37.95 86.53 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.396 -0.815 . . . . 0.0 109.869 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.6 -43.5 98.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.072 -1.017 . . . . 0.0 109.623 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.529 ' HZ2' HG23 ' A' ' 81' ' ' THR . 96.0 mttt -63.97 -32.96 74.68 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.167 -0.958 . . . . 0.0 108.854 179.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.61 -40.85 72.92 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.225 -0.922 . . . . 0.0 109.608 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.515 ' HG3' HG23 ' A' ' 131' ' ' ILE . 3.8 ttpt -64.3 -48.46 75.57 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.346 -0.846 . . . . 0.0 109.972 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.681 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -69.39 -39.02 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.386 -0.821 . . . . 0.0 109.341 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.681 ' N ' HD12 ' A' ' 91' ' ' ILE . 59.8 t80 -58.78 -45.41 89.87 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.655 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 83.7 mtp -64.44 -38.6 91.61 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.328 -0.858 . . . . 0.0 109.232 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.6 tp -60.97 -39.55 90.01 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.068 -1.02 . . . . 0.0 109.391 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -66.86 -49.18 66.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.205 -0.935 . . . . 0.0 110.081 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.513 ' CE1' ' CZ ' ' A' ' 92' ' ' TYR . 59.0 m-85 -79.05 -49.2 13.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.257 -0.902 . . . . 0.0 109.94 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.527 ' N ' ' O ' ' A' ' 93' ' ' MET . 20.6 m -52.8 -42.75 65.36 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.098 -1.002 . . . . 0.0 108.576 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 52.8 ttm -65.26 -39.69 92.96 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 83.8 p -64.13 -34.12 77.34 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.454 -0.778 . . . . 0.0 109.39 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 100' ' ' LEU . 85.8 mt -63.46 -43.69 96.64 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.142 -0.974 . . . . 0.0 109.323 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.671 ' CE2' HD11 ' A' ' 105' ' ' LEU . 88.3 t80 -61.33 -44.33 97.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.908 . . . . 0.0 109.78 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -58.84 -39.94 82.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.22 -0.925 . . . . 0.0 109.377 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -61.79 -41.09 97.29 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.353 -0.842 . . . . 0.0 109.631 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.559 ' HZ1' ' C ' ' A' ' 120' ' ' SER . 31.7 mmtp -61.34 -40.87 95.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.143 -0.973 . . . . 0.0 109.501 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.671 HD11 ' CE2' ' A' ' 101' ' ' TYR . 75.9 mt -58.67 -45.76 88.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.116 -0.99 . . . . 0.0 109.124 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -62.61 -39.76 94.8 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.195 -0.941 . . . . 0.0 109.923 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.3 mt-30 -62.25 -41.6 98.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.183 -0.948 . . . . 0.0 110.041 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 161' ' ' LEU . 83.8 mt -67.53 -37.35 82.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.867 -1.146 . . . . 0.0 109.318 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.565 ' NZ ' ' OD1' ' A' ' 110' ' ' ASP . 15.7 ttpp -74.47 -52.62 11.47 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.477 -0.764 . . . . 0.0 110.772 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.565 ' OD1' ' NZ ' ' A' ' 109' ' ' LYS . 89.7 m-20 -98.1 -22.46 16.21 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.293 -0.88 . . . . 0.0 110.715 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.82 155.34 17.75 Favored Glycine 0 N--CA 1.494 2.517 0 C-N-CA 119.673 -1.251 . . . . 0.0 110.315 -178.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -69.74 154.21 68.07 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.93 2.42 . . . . 0.0 112.065 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.504 ' CD1' ' N ' ' A' ' 113' ' ' TRP . 0.8 OUTLIER -89.17 122.65 32.67 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.171 -0.956 . . . . 0.0 109.551 -179.807 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 42.4 t0 -135.12 164.87 26.68 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.298 -0.876 . . . . 0.0 109.26 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.468 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 4.2 m -61.66 -32.19 53.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.379 -0.825 . . . . 0.0 109.707 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.426 ' N ' HG23 ' A' ' 115' ' ' VAL . 68.3 mtm -59.59 -40.45 87.45 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.271 -0.893 . . . . 0.0 109.855 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 71.4 mt -65.11 -38.15 89.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.182 -0.949 . . . . 0.0 109.547 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -61.87 -42.37 98.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.294 -0.879 . . . . 0.0 109.784 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -63.67 -43.16 97.51 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.27 -0.894 . . . . 0.0 109.806 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.559 ' C ' ' HZ1' ' A' ' 104' ' ' LYS . 18.8 m -63.17 -39.45 94.69 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.333 -0.854 . . . . 0.0 109.597 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.805 HD23 HD13 ' A' ' 158' ' ' LEU . 38.0 tp -62.92 -41.35 99.44 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.25 -0.906 . . . . 0.0 109.463 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.647 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 65.4 m95 -60.33 -39.54 87.43 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.203 -0.935 . . . . 0.0 109.271 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 76.6 m -62.08 -45.19 94.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.234 -0.916 . . . . 0.0 109.488 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 82.4 m -61.28 -48.19 82.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.14 -0.975 . . . . 0.0 109.659 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 71.1 mt -60.35 -36.66 70.43 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 O-C-N 121.192 -0.943 . . . . 0.0 108.892 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.93 -39.72 82.42 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.293 -0.88 . . . . 0.0 108.779 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.35 -40.89 97.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.262 -0.899 . . . . 0.0 109.084 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.423 ' CE2' HG22 ' A' ' 97' ' ' THR . 35.5 m-85 -64.09 -42.63 96.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.275 -0.891 . . . . 0.0 109.805 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.8 t -61.72 -42.15 98.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.113 -0.992 . . . . 0.0 109.813 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.657 ' SG ' ' CD1' ' A' ' 30' ' ' TYR . 60.0 m -68.47 -49.2 61.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.145 -0.972 . . . . 0.0 110.093 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.515 HG23 ' HG3' ' A' ' 90' ' ' LYS . 94.8 mt -62.7 -50.4 79.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 O-C-N 121.17 -0.956 . . . . 0.0 110.439 -179.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.6 ' CD1' HD11 ' A' ' 151' ' ' ILE . 85.2 mt -67.22 -39.32 86.24 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.237 -0.914 . . . . 0.0 110.355 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -62.33 -49.65 74.73 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.134 -0.979 . . . . 0.0 110.269 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 35.0 tp -65.98 -42.81 89.35 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.058 -1.026 . . . . 0.0 109.802 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -86.86 1.36 52.71 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.292 -0.88 . . . . 0.0 110.272 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 132' ' ' LEU . 28.3 tptp -51.16 -37.77 48.25 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.178 -0.951 . . . . 0.0 109.981 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -63.92 -24.01 67.57 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.067 -1.021 . . . . 0.0 109.495 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -92.2 -3.08 56.08 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.204 -0.935 . . . . 0.0 110.487 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.9 mm -103.99 139.43 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.033 -1.042 . . . . 0.0 109.568 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 52.1 p -77.86 155.97 30.68 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.383 -0.823 . . . . 0.0 108.998 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -50.62 -50.37 54.38 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.034 -1.041 . . . . 0.0 109.624 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 38.8 m -67.08 -42.68 84.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.975 -1.078 . . . . 0.0 109.246 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.4 t -59.16 -38.28 79.38 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.284 -0.885 . . . . 0.0 108.758 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.574 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -63.9 -39.17 93.57 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.196 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -58.79 -40.75 84.96 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.351 -0.843 . . . . 0.0 109.118 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.3 m -62.93 -48.64 78.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -0.868 . . . . 0.0 109.658 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 56.1 mt -65.54 -43.45 89.93 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.205 -0.934 . . . . 0.0 108.796 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.587 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -64.37 -33.47 75.92 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -60.25 -44.45 95.26 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.354 -0.841 . . . . 0.0 109.109 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -62.81 -41.67 99.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.178 -0.951 . . . . 0.0 108.934 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.6 HD11 ' CD1' ' A' ' 132' ' ' LEU . 84.8 mt -62.73 -39.5 85.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.333 -0.855 . . . . 0.0 108.887 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -57.53 -41.52 81.05 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -58.34 -41.65 85.07 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' CYS . . . . . 0.669 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 70.2 m -62.85 -50.86 69.26 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.436 -0.79 . . . . 0.0 108.88 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -62.64 -37.54 86.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.313 -0.867 . . . . 0.0 109.322 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 31.7 mt -58.54 -48.66 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 O-C-N 121.246 -0.909 . . . . 0.0 110.146 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.554 ' CE2' HD11 ' A' ' 166' ' ' ILE . 1.6 t80 -63.62 -40.77 97.73 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.805 HD13 HD23 ' A' ' 121' ' ' LEU . 38.5 tp -58.93 -40.34 84.31 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.5 m -61.96 -37.15 83.68 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.361 -0.837 . . . . 0.0 108.98 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 165' ' ' GLU . 34.8 mttm -61.03 -43.2 99.24 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.276 -0.89 . . . . 0.0 109.181 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 108' ' ' LEU . 8.5 mp -68.52 -33.32 73.92 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.223 -0.923 . . . . 0.0 109.32 179.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.9 82.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -0.912 . . . . 0.0 109.259 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -85.16 -5.8 59.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.207 -0.933 . . . . 0.0 109.213 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.3 -2.64 78.68 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 160' ' ' LYS . 84.2 tt0 -95.46 148.44 22.48 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.336 -1.096 . . . . 0.0 109.51 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.554 HD11 ' CE2' ' A' ' 157' ' ' TYR . 8.3 tp -125.91 137.7 56.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.463 -0.773 . . . . 0.0 109.433 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 CA-C-O 117.944 -1.475 . . . . 0.0 109.534 -179.908 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.302 0.572 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 177' ' ' VAL . . . . . 0.433 ' H ' HG22 ' B' ' 177' ' ' VAL . 0.5 OUTLIER -67.88 153.04 95.85 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.22 -0.925 . . . . 0.0 109.435 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -60.5 -25.87 81.54 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.581 2.187 . . . . 0.0 112.197 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -105.16 140.86 37.68 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.359 -0.838 . . . . 0.0 109.49 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 69.9 mt -114.64 134.1 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.485 -0.759 . . . . 0.0 109.395 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -87.8 150.03 23.8 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.264 -0.897 . . . . 0.0 109.489 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -140.71 153.68 46.03 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.219 -0.925 . . . . 0.0 109.52 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -58.66 -33.62 70.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.344 -0.847 . . . . 0.0 109.598 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -94.09 139.62 30.76 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.25 -0.906 . . . . 0.0 109.561 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 185' ' ' VAL . . . . . 0.47 HG12 ' H ' ' B' ' 187' ' ' VAL . 38.6 t -115.18 140.05 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.513 -0.742 . . . . 0.0 109.427 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -52.67 -36.58 57.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.266 -0.896 . . . . 0.0 109.781 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 187' ' ' VAL . . . . . 0.47 ' H ' HG12 ' B' ' 185' ' ' VAL . 79.4 t -62.02 -43.43 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.179 -0.951 . . . . 0.0 109.426 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -62.53 -35.13 78.43 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.995 -1.065 . . . . 0.0 109.455 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -58.16 -46.41 85.76 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.304 -0.873 . . . . 0.0 110.619 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.32 -44.35 71.88 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.168 -0.958 . . . . 0.0 110.392 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -58.65 -42.48 88.46 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.679 -1.263 . . . . 0.0 109.609 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.72 -35.95 82.22 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.263 -0.898 . . . . 0.0 109.378 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -59.65 -43.03 94.04 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.313 -0.867 . . . . 0.0 109.23 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -62.96 -43.28 99.24 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.172 -0.955 . . . . 0.0 109.196 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.57 -41.4 98.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.383 -0.823 . . . . 0.0 108.896 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.87 81.74 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.308 -0.87 . . . . 0.0 109.406 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -64.48 -35.78 82.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.13 -0.981 . . . . 0.0 109.254 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -66.47 -42.99 86.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.082 -1.011 . . . . 0.0 109.215 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 199' ' ' LEU . . . . . 0.618 HD22 HG21 ' A' ' 32' ' ' VAL . 7.9 tp -67.61 -47.2 70.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.378 -0.826 . . . . 0.0 109.763 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -60.02 -36.35 77.04 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.146 -0.971 . . . . 0.0 109.427 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.34 86.2 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.192 -0.943 . . . . 0.0 108.663 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 202' ' ' LEU . . . . . 0.486 HD11 ' HE3' ' A' ' 60' ' ' LYS . 18.8 tp -61.87 -38.8 89.63 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.391 -0.818 . . . . 0.0 109.233 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -94.87 0.26 54.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 0.0 109.451 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 118.032 -1.427 . . . . 0.0 109.588 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.618 ' HB1' ' CE ' ' A' ' 45' ' ' MET . . . -59.85 -39.04 83.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.184 -0.948 . . . . 0.0 109.127 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -63.47 -39.17 93.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.231 -0.918 . . . . 0.0 109.035 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.85 -40.12 79.36 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.9 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.67 -39.68 94.09 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.71 95.83 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.498 -0.751 . . . . 0.0 109.251 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.646 ' NH2' ' SG ' ' A' ' 123' ' ' CYS . 0.0 OUTLIER -60.33 -43.16 96.66 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.182 -0.949 . . . . 0.0 108.557 179.547 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.466 ' CG1' HD13 ' A' ' 27' ' ' LEU . 46.2 t -61.05 -37.1 76.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 121.455 -0.778 . . . . 0.0 108.979 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.5 t -60.49 -37.84 76.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.03 -41.14 96.0 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.433 ' H ' HG23 ' A' ' 11' ' ' THR . 9.3 p -70.57 -35.29 72.99 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.401 -0.812 . . . . 0.0 108.841 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.625 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -56.31 -48.2 77.18 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.368 -0.832 . . . . 0.0 108.794 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -63.57 -38.34 90.74 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.287 -0.883 . . . . 0.0 108.837 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.435 ' O ' HG23 ' A' ' 18' ' ' VAL . 55.9 t0 -60.01 -41.85 93.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.357 -0.839 . . . . 0.0 109.779 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -62.95 -41.29 99.46 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.225 -0.922 . . . . 0.0 109.554 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -58.73 -40.12 82.85 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.141 -0.974 . . . . 0.0 109.056 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -62.23 -32.85 73.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.375 -0.828 . . . . 0.0 109.586 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 14' ' ' ASP . 15.8 t -84.44 -8.2 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.382 -0.824 . . . . 0.0 109.655 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.62 7.68 68.72 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 20' ' ' LEU . 11.1 mp -95.95 49.85 1.17 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.259 -1.142 . . . . 0.0 109.035 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.48 -29.05 52.72 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.6 mm -58.33 -48.68 84.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 121.161 -1.199 . . . . 0.0 109.737 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mm -65.44 -45.44 92.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.073 -1.017 . . . . 0.0 109.37 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.567 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.97 -37.32 92.49 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.882 ' CE2' HD11 ' A' ' 29' ' ' LEU . 68.8 t80 -64.38 -47.64 78.48 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.341 -1.094 . . . . 0.0 111.002 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.668 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 81.0 t80 -62.4 -47.09 85.67 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.049 -1.032 . . . . 0.0 111.098 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.625 HD11 ' HB2' ' A' ' 12' ' ' ALA . 3.3 pp -67.45 -32.53 73.45 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.782 -1.198 . . . . 0.0 109.295 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.562 ' N ' HD12 ' A' ' 27' ' ' LEU . 7.8 tp-100 -59.97 -41.91 92.98 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.882 HD11 ' CE2' ' A' ' 25' ' ' TYR . 87.4 mt -61.66 -37.89 85.7 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 178.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.662 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 79.4 t80 -64.99 -36.59 84.88 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.335 -0.853 . . . . 0.0 109.296 179.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.31 -46.05 91.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.341 -0.849 . . . . 0.0 110.251 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.794 HG21 HD22 ' B' ' 199' ' ' LEU . 1.5 p -64.69 -42.27 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.875 -1.141 . . . . 0.0 109.195 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.6 -35.52 78.08 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.904 -1.122 . . . . 0.0 108.875 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.9 HD23 ' HB2' ' A' ' 5' ' ' ALA . 27.0 tp -64.29 -42.24 96.49 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.297 -0.877 . . . . 0.0 109.93 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.38 -48.29 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.157 -0.965 . . . . 0.0 110.122 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.6 mp -65.52 -36.49 84.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.293 -0.88 . . . . 0.0 109.396 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.2 p -75.19 -20.12 59.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.244 -0.91 . . . . 0.0 108.79 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.525 ' OE2' ' NE ' ' A' ' 41' ' ' ARG . 84.3 tt0 -80.56 150.78 29.44 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.772 -0.58 . . . . 0.0 109.738 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.53 150.18 15.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -0.9 . . . . 0.0 109.531 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -58.44 141.05 52.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.418 -0.802 . . . . 0.0 110.32 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.525 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 83.6 mtt-85 -122.48 170.52 9.9 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.674 -0.641 . . . . 0.0 109.42 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 p -57.53 169.57 0.65 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.17 -0.956 . . . . 0.0 109.867 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.47 -32.08 64.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.539 -0.726 . . . . 0.0 110.716 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.85 -41.92 58.29 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.889 -1.132 . . . . 0.0 109.213 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.618 ' CE ' ' HB1' ' A' ' 2' ' ' ALA . 7.5 tpt -64.56 -38.98 92.87 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.281 -0.887 . . . . 0.0 108.778 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.5 m -60.99 -40.01 91.84 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.561 -0.712 . . . . 0.0 109.458 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.87 99.62 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.305 -0.872 . . . . 0.0 109.004 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 48' ' ' LEU . 87.2 mt -62.43 -37.23 85.05 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.314 -0.866 . . . . 0.0 109.111 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.89 92.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.25 -0.906 . . . . 0.0 108.805 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.0 m -61.63 -40.97 96.76 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.447 -0.783 . . . . 0.0 109.135 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.01 -41.71 97.06 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.314 -0.866 . . . . 0.0 109.243 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.4 mt -60.79 -39.34 88.52 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.19 -0.943 . . . . 0.0 109.077 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.661 HD22 HD11 ' B' ' 195' ' ' LEU . 19.3 tp -60.38 -40.08 89.57 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.202 -0.936 . . . . 0.0 108.757 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -59.91 -40.42 88.79 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.7 m -60.42 -41.2 93.48 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.574 -0.704 . . . . 0.0 109.488 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.555 HG21 HD22 ' B' ' 202' ' ' LEU . 78.2 mt -58.64 -51.69 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.937 . . . . 0.0 108.953 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.96 -36.51 81.66 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -68.56 -31.37 70.53 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' THR . 72.9 t80 -58.52 -53.97 52.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.343 -0.848 . . . . 0.0 108.974 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.89 -39.86 93.4 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.113 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -82.41 -1.98 51.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.393 -0.817 . . . . 0.0 109.988 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 58' ' ' ALA . 20.1 pt-20 -49.1 -31.1 7.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.198 -0.938 . . . . 0.0 110.157 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.1 pt -68.25 -34.02 63.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.05 -1.031 . . . . 0.0 109.75 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.32 -3.99 13.92 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.41 0.18 65.31 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.2 -45.37 85.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.141 -1.211 . . . . 0.0 109.436 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.8 m -62.6 -31.57 72.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.432 -0.792 . . . . 0.0 109.308 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.64 -28.59 67.36 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.398 -0.814 . . . . 0.0 109.814 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.08 97.43 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.062 -1.024 . . . . 0.0 110.283 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -134.68 145.38 48.48 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.286 -0.883 . . . . 0.0 109.968 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 48.64 42.62 19.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.286 -0.884 . . . . 0.0 109.182 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.8 p -63.32 -38.41 91.06 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.314 -0.866 . . . . 0.0 110.163 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -62.85 -41.91 99.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.031 -1.043 . . . . 0.0 109.878 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -65.03 -44.95 87.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.283 -0.885 . . . . 0.0 110.593 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.8 p -64.85 -41.49 95.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.991 -1.068 . . . . 0.0 110.134 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 96.2 mt -68.26 -38.26 81.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 109.922 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -61.66 -45.54 93.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.282 -0.886 . . . . 0.0 110.302 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.4 t -69.28 -49.61 59.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.2 -0.937 . . . . 0.0 110.118 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 89.1 mtp -67.62 -46.32 72.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.036 -1.04 . . . . 0.0 110.127 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.602 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 56.9 t-20 -66.54 -44.01 83.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.34 -0.85 . . . . 0.0 111.034 -179.123 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.1 m -68.91 -48.99 61.96 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.169 -0.957 . . . . 0.0 111.96 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.5 mt -72.38 -34.15 67.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.85 -1.157 . . . . 0.0 111.508 -178.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.7 mt -79.28 -42.3 23.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 120.95 -1.094 . . . . 0.0 111.339 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.602 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 72.9 m80 -74.58 -48.16 28.3 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.014 -1.054 . . . . 0.0 111.306 -178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -85.07 110.64 19.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.799 -1.188 . . . . 0.0 109.997 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -61.76 -36.52 81.28 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.474 -0.766 . . . . 0.0 110.148 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.84 -43.35 94.66 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.096 -1.002 . . . . 0.0 109.8 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -64.01 -33.22 75.25 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.125 -0.984 . . . . 0.0 108.532 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.76 75.48 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.202 -0.936 . . . . 0.0 109.569 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.594 ' NZ ' ' CG ' ' A' ' 135' ' ' TRP . 16.8 tttp -62.23 -48.69 78.84 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.155 -0.966 . . . . 0.0 111.071 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.094 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -64.95 -38.45 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 120.618 -1.301 . . . . 0.0 108.76 -178.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 1.094 ' N ' HD13 ' A' ' 91' ' ' ILE . 61.6 t80 -63.09 -43.8 97.49 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.003 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.668 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 73.9 mtm -70.38 -41.54 72.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.612 -0.68 . . . . 0.0 110.001 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.06 -40.61 94.32 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.092 -1.005 . . . . 0.0 109.213 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -63.02 -45.69 91.12 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.373 -0.829 . . . . 0.0 109.482 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.454 ' HE2' HD22 ' A' ' 100' ' ' LEU . 65.8 t80 -65.0 -43.05 93.81 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.39 -0.819 . . . . 0.0 109.598 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 93' ' ' MET . 64.8 p -59.76 -43.44 94.32 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.332 -0.855 . . . . 0.0 109.735 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.9 ttp -63.6 -44.84 92.82 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.251 -0.906 . . . . 0.0 109.036 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.7 t -68.82 -42.18 77.57 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.435 -0.79 . . . . 0.0 109.896 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.454 HD22 ' HE2' ' A' ' 96' ' ' PHE . 29.6 tp -65.13 -41.56 94.7 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.304 -0.872 . . . . 0.0 110.143 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.761 ' CE2' HD11 ' A' ' 105' ' ' LEU . 87.2 t80 -63.72 -45.69 88.81 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.2 -0.937 . . . . 0.0 110.146 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -59.61 -41.46 90.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.15 -0.969 . . . . 0.0 109.639 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.23 -40.86 95.62 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.311 -0.868 . . . . 0.0 109.738 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -62.36 -40.98 98.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.252 -0.905 . . . . 0.0 109.932 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.761 HD11 ' CE2' ' A' ' 101' ' ' TYR . 82.3 mt -59.36 -44.73 92.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.135 -0.978 . . . . 0.0 109.356 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -60.75 -38.88 86.68 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.193 -0.942 . . . . 0.0 109.695 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.7 mt-30 -62.17 -39.61 93.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.255 -0.903 . . . . 0.0 109.992 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 63.1 mt -66.11 -37.85 86.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.978 -1.076 . . . . 0.0 109.506 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -78.02 -53.0 7.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.316 -0.865 . . . . 0.0 110.446 -179.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -89.6 -22.71 22.21 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.281 -0.887 . . . . 0.0 110.65 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -102.89 154.58 18.26 Favored Glycine 0 N--CA 1.493 2.49 0 C-N-CA 119.698 -1.239 . . . . 0.0 110.289 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.84 154.34 63.52 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 122.938 2.425 . . . . 0.0 111.983 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.586 ' CE2' ' OH ' ' A' ' 157' ' ' TYR . 25.9 m-90 -86.95 122.35 30.68 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.208 -0.932 . . . . 0.0 109.482 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 86.9 m-20 -134.64 166.09 23.72 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.357 -0.839 . . . . 0.0 109.366 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 116' ' ' MET . 12.6 m -64.1 -32.6 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.282 -0.887 . . . . 0.0 109.333 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.407 ' N ' HG23 ' A' ' 115' ' ' VAL . 0.8 OUTLIER -59.64 -40.8 88.84 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.415 -0.803 . . . . 0.0 109.647 -179.293 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.91 -37.71 88.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.393 -0.817 . . . . 0.0 109.514 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -59.48 -44.09 93.12 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.182 -0.949 . . . . 0.0 109.387 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.403 HH12 ' HB ' ' A' ' 115' ' ' VAL . 68.4 mtt85 -63.77 -40.56 96.99 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.27 -0.894 . . . . 0.0 109.511 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.0 p -64.8 -34.43 78.33 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.235 -0.916 . . . . 0.0 109.262 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.548 HD23 HD13 ' A' ' 158' ' ' LEU . 27.2 tp -64.82 -42.49 94.94 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.38 -0.825 . . . . 0.0 109.245 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -60.95 -40.28 92.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.282 -0.886 . . . . 0.0 109.338 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.646 ' SG ' ' NH2' ' A' ' 7' ' ' ARG . 73.2 m -62.07 -43.19 99.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.188 -0.945 . . . . 0.0 109.55 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.408 ' SG ' HD23 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -62.0 -46.96 86.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.197 -0.939 . . . . 0.0 109.845 -179.787 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.8 mt -60.34 -38.82 78.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.147 -0.971 . . . . 0.0 109.178 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.524 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.3 m-20 -61.57 -40.56 95.16 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.307 -0.871 . . . . 0.0 109.859 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.24 -45.06 95.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.127 -0.983 . . . . 0.0 109.874 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.546 ' CD1' HD11 ' A' ' 151' ' ' ILE . 30.2 t80 -72.05 -43.13 65.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.126 -0.984 . . . . 0.0 109.56 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.5 m -63.11 -38.64 91.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.298 -0.876 . . . . 0.0 109.92 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.662 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 82.8 m -65.98 -49.46 67.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.145 -0.972 . . . . 0.0 109.765 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.78 -47.73 89.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.19 -0.944 . . . . 0.0 109.699 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 136' ' ' LYS . 39.5 tp -61.74 -38.98 89.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.354 -0.842 . . . . 0.0 109.798 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -60.36 -49.65 76.74 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.256 -0.902 . . . . 0.0 110.258 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.13 -42.95 88.44 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.174 -0.954 . . . . 0.0 109.703 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.594 ' CG ' ' NZ ' ' A' ' 90' ' ' LYS . 97.1 m95 -86.93 2.46 49.24 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.27 -0.894 . . . . 0.0 109.919 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 132' ' ' LEU . 19.7 tptm -51.53 -38.44 54.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.227 -0.921 . . . . 0.0 110.099 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.84 -21.9 66.01 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.238 -0.913 . . . . 0.0 109.778 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -92.16 -6.24 51.1 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.157 -0.964 . . . . 0.0 110.661 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.8 mm -104.63 146.86 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.158 -0.964 . . . . 0.0 109.48 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.8 m -77.01 155.06 32.85 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.325 -0.859 . . . . 0.0 109.207 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -57.36 -39.13 75.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.162 -0.961 . . . . 0.0 109.858 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 41.1 m -75.18 -45.08 42.91 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.78 -1.2 . . . . 0.0 109.996 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 47.2 m -61.65 -46.41 89.89 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.178 -0.951 . . . . 0.0 110.077 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.479 HG23 ' N ' ' A' ' 145' ' ' ASN . 14.1 t -64.79 -39.87 94.31 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.982 -1.073 . . . . 0.0 108.321 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ASN . . . . . 0.479 ' N ' HG23 ' A' ' 144' ' ' THR . 39.2 t-20 -54.41 -41.15 68.97 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.363 -0.836 . . . . 0.0 108.765 179.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.9 m -62.68 -45.31 93.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.363 -0.836 . . . . 0.0 109.175 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 60.1 mt -65.77 -44.65 85.17 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 108.804 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -61.72 -34.6 76.09 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -61.31 -41.93 97.81 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.503 -0.748 . . . . 0.0 108.983 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.432 ' NH2' ' CE2' ' A' ' 128' ' ' PHE . 60.0 ttp180 -60.06 -42.08 93.75 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.201 -0.937 . . . . 0.0 108.532 179.417 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.546 HD11 ' CD1' ' A' ' 128' ' ' PHE . 87.8 mt -61.02 -38.62 79.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -57.71 -41.36 81.57 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.536 ' HA ' HD12 ' A' ' 156' ' ' ILE . 76.3 t80 -57.98 -42.78 85.81 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' CYS . . . . . 0.543 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 5.2 m -62.86 -50.62 70.21 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -62.44 -34.41 76.73 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.405 -0.809 . . . . 0.0 109.411 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 153' ' ' TYR . 18.9 mt -58.26 -49.24 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 O-C-N 121.222 -0.924 . . . . 0.0 110.227 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.737 ' OH ' HG23 ' A' ' 166' ' ' ILE . 61.8 t80 -64.43 -41.18 96.74 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.548 HD13 HD23 ' A' ' 121' ' ' LEU . 34.7 tp -59.55 -41.47 90.2 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 121.409 0.623 . . . . 0.0 109.345 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.2 m -60.88 -39.68 90.14 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.147 -0.971 . . . . 0.0 108.834 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -61.54 -38.09 86.16 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.304 -0.873 . . . . 0.0 108.907 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 73.9 mt -62.15 -37.84 86.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.228 -0.92 . . . . 0.0 108.707 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.53 -36.93 85.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.39 -0.819 . . . . 0.0 109.106 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -81.81 -10.66 59.27 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.346 -0.846 . . . . 0.0 109.371 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.51 1.03 72.01 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.67 147.6 23.13 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.165 -1.197 . . . . 0.0 109.706 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.737 HG23 ' OH ' ' A' ' 157' ' ' TYR . 37.4 mm -116.69 135.36 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.526 -0.734 . . . . 0.0 109.503 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.93 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.84 135.88 92.24 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.209 -0.932 . . . . 0.0 109.008 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -64.44 145.78 88.44 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.848 1.699 . . . . 0.0 112.112 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.64 -35.47 78.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.237 -0.915 . . . . 0.0 109.528 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 180' ' ' ILE . . . . . 0.451 HG22 ' H ' ' B' ' 182' ' ' ALA . 70.3 mt -118.8 129.7 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.384 -0.823 . . . . 0.0 109.526 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -60.08 -35.93 76.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.246 -0.909 . . . . 0.0 109.437 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 182' ' ' ALA . . . . . 0.451 ' H ' HG22 ' B' ' 180' ' ' ILE . . . -65.48 146.27 55.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.287 -0.883 . . . . 0.0 109.555 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -92.66 142.75 27.03 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.241 -0.912 . . . . 0.0 109.564 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.67 -31.41 72.29 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.327 -0.858 . . . . 0.0 109.504 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 185' ' ' VAL . . . . . 0.405 HG23 ' N ' ' B' ' 186' ' ' ASN . 15.1 m -64.38 -34.08 66.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.282 -0.886 . . . . 0.0 109.745 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 186' ' ' ASN . . . . . 0.405 ' N ' HG23 ' B' ' 185' ' ' VAL . 86.2 m-20 -56.59 -35.02 67.75 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 109.594 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 73.9 t -61.0 -41.33 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.222 -0.924 . . . . 0.0 109.507 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -59.77 -34.12 72.58 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.934 -1.104 . . . . 0.0 109.543 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -57.3 -48.01 80.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.327 -0.858 . . . . 0.0 110.624 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.92 -40.13 83.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.147 -0.971 . . . . 0.0 109.899 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -58.09 -41.26 83.1 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.849 -1.157 . . . . 0.0 109.28 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.56 -38.22 90.26 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.156 -0.965 . . . . 0.0 108.948 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.21 -40.51 90.4 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.374 -0.829 . . . . 0.0 108.851 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -61.84 -40.13 94.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 0.0 109.202 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 195' ' ' LEU . . . . . 0.661 HD11 HD22 ' A' ' 53' ' ' LEU . 37.0 tp -59.49 -40.64 87.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.252 -0.905 . . . . 0.0 109.067 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.08 -37.65 85.87 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.259 -0.901 . . . . 0.0 108.873 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.19 -35.28 80.58 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.363 -0.836 . . . . 0.0 109.205 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 198' ' ' ARG . . . . . 0.52 ' CZ ' HD21 ' A' ' 53' ' ' LEU . 81.6 mtp180 -62.39 -42.5 99.47 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.228 -0.92 . . . . 0.0 109.238 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 199' ' ' LEU . . . . . 0.794 HD22 HG21 ' A' ' 32' ' ' VAL . 7.6 tp -63.06 -44.95 94.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.191 -0.943 . . . . 0.0 108.99 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -60.58 -37.61 81.9 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.346 -0.846 . . . . 0.0 108.993 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.91 81.87 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.209 -0.932 . . . . 0.0 108.583 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 202' ' ' LEU . . . . . 0.555 HD22 HG21 ' A' ' 56' ' ' ILE . 5.8 tp -59.7 -39.53 84.88 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -97.31 1.25 49.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.399 -0.813 . . . . 0.0 109.542 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 117.961 -1.466 . . . . 0.0 109.596 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.351 0.596 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.25 -41.07 87.89 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.153 -0.967 . . . . 0.0 109.233 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -63.61 -37.74 88.48 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.191 -0.943 . . . . 0.0 108.981 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -56.45 -42.6 78.41 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.884 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.7 -39.5 94.47 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.61 93.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.341 -0.849 . . . . 0.0 109.534 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.429 HH12 ' HB3' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -60.3 -40.6 91.09 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.059 -1.026 . . . . 0.0 108.571 179.458 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.407 ' CG1' HD13 ' A' ' 27' ' ' LEU . 53.9 t -63.11 -37.18 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.48 -0.763 . . . . 0.0 109.433 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.61 -40.1 83.55 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.152 -0.968 . . . . 0.0 108.487 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.82 82.19 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.248 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.18 -34.36 78.2 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.673 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -60.79 -41.85 96.43 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.304 -0.872 . . . . 0.0 108.68 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -61.14 -38.75 87.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.339 -0.85 . . . . 0.0 108.775 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -58.55 -42.82 88.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.2 -0.938 . . . . 0.0 109.315 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -62.2 -40.84 97.4 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.317 -0.865 . . . . 0.0 109.422 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' OD1' ' OE2' ' A' ' 62' ' ' GLU . 53.0 t0 -58.68 -37.94 77.13 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.214 -0.929 . . . . 0.0 108.934 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -61.38 -32.47 72.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.44 -0.788 . . . . 0.0 109.078 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.6 t -83.83 -12.87 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.417 -0.802 . . . . 0.0 109.561 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.3 18.48 52.92 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.5 mt -95.83 54.66 1.53 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.344 -1.092 . . . . 0.0 109.2 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.19 -28.79 50.74 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 mm -58.36 -50.55 78.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 O-C-N 121.119 -1.224 . . . . 0.0 109.509 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.1 mm -63.85 -42.47 95.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.239 -0.913 . . . . 0.0 108.771 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.403 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.05 -40.38 95.49 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.793 ' CE2' HD11 ' A' ' 29' ' ' LEU . 71.0 t80 -62.75 -47.97 81.2 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.089 -1.242 . . . . 0.0 111.154 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.663 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 46.8 t80 -64.45 -47.03 80.59 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.965 -1.084 . . . . 0.0 111.497 -178.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.673 HD11 ' HB2' ' A' ' 12' ' ' ALA . 3.2 pp -67.32 -34.73 77.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.704 -1.248 . . . . 0.0 110.075 -178.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.545 HE22 HG22 ' A' ' 55' ' ' THR . 89.4 mt-30 -60.11 -39.63 86.87 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.566 -1.334 . . . . 0.0 108.079 178.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.793 HD11 ' CE2' ' A' ' 25' ' ' TYR . 92.2 mt -62.76 -37.2 85.68 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -67.21 -37.36 83.49 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.269 -0.894 . . . . 0.0 109.399 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.5 93.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.309 -0.869 . . . . 0.0 110.369 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.74 HG21 ' CD2' ' B' ' 199' ' ' LEU . 2.2 p -64.08 -42.82 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.88 -1.138 . . . . 0.0 108.832 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.65 -34.64 76.05 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.998 -1.064 . . . . 0.0 108.743 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.884 HD23 ' HB2' ' A' ' 5' ' ' ALA . 37.6 tp -63.22 -43.15 98.91 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.49 -0.756 . . . . 0.0 109.806 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.81 -48.1 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 O-C-N 121.087 -1.008 . . . . 0.0 109.709 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.486 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.4 mp -65.05 -36.44 84.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.292 -0.88 . . . . 0.0 109.417 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.4 p -72.77 -20.89 61.09 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.595 ' CD ' ' HE ' ' A' ' 41' ' ' ARG . 80.0 tt0 -78.34 151.33 32.96 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.58 151.0 11.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.288 -0.882 . . . . 0.0 109.507 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.11 130.39 46.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.444 -0.785 . . . . 0.0 110.088 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.595 ' HE ' ' CD ' ' A' ' 38' ' ' GLU . 96.4 mtt-85 -122.3 170.94 9.42 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.766 -0.584 . . . . 0.0 109.681 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.8 p -57.52 169.04 0.71 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.338 -0.851 . . . . 0.0 110.555 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.552 ' NE2' ' OD2' ' B' ' 188' ' ' ASP . 94.4 mt-30 -56.65 -24.73 50.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.858 -0.526 . . . . 0.0 111.317 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.57 -44.73 47.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.718 -1.239 . . . . 0.0 109.678 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -36.08 79.02 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.947 -1.095 . . . . 0.0 109.132 178.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.5 m -59.61 -41.91 91.45 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.311 -0.868 . . . . 0.0 109.252 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.27 95.12 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.163 -0.961 . . . . 0.0 108.812 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.98 -38.07 89.66 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.336 -0.853 . . . . 0.0 109.108 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.9 87.15 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.257 -0.902 . . . . 0.0 108.692 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 m -62.92 -38.17 89.92 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.371 -0.83 . . . . 0.0 109.188 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.98 -43.98 98.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.385 -0.822 . . . . 0.0 109.987 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 52' ' ' LEU . 7.0 mp -63.66 -39.64 94.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.991 -1.068 . . . . 0.0 109.353 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.3 tp -59.8 -40.37 88.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.17 -0.956 . . . . 0.0 108.773 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -61.66 -38.18 86.81 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.545 HG22 HE22 ' A' ' 28' ' ' GLN . 43.3 m -60.05 -41.97 93.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.661 -0.649 . . . . 0.0 109.746 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.45 HG21 HD21 ' B' ' 202' ' ' LEU . 83.0 mt -58.15 -49.77 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.117 -0.989 . . . . 0.0 109.18 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -62.23 -37.55 85.82 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.7 -34.73 77.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.481 -0.762 . . . . 0.0 109.044 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -58.97 -53.91 53.08 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.231 -0.918 . . . . 0.0 109.361 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.868 ' NZ ' HG21 ' A' ' 83' ' ' ILE . 26.9 mttm -59.81 -41.17 90.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.147 -0.971 . . . . 0.0 109.345 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -82.8 -2.4 54.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.403 -0.811 . . . . 0.0 110.067 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.489 ' OE2' ' OD1' ' A' ' 16' ' ' ASP . 86.6 tt0 -49.41 -35.25 18.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.122 -0.986 . . . . 0.0 109.919 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.481 HD12 ' SD ' ' A' ' 79' ' ' MET . 79.6 mt -68.55 -40.33 81.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.111 -0.993 . . . . 0.0 109.769 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.42 -5.22 60.91 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.14 -3.02 79.91 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -64.86 -47.11 79.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.055 -1.262 . . . . 0.0 108.531 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 t -70.74 -31.11 67.83 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.15 -29.5 65.63 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.663 -0.648 . . . . 0.0 109.802 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.24 -35.69 67.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.957 -1.089 . . . . 0.0 109.822 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -111.19 137.2 49.18 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.331 -0.856 . . . . 0.0 109.466 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 50.8 45.3 27.44 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.181 -0.95 . . . . 0.0 108.768 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.8 p -56.63 -35.16 68.02 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.482 -0.762 . . . . 0.0 110.324 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 74' ' ' LYS . 30.4 p-10 -64.89 -43.94 91.28 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.03 -1.044 . . . . 0.0 110.493 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.567 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 98.5 mttt -64.46 -38.37 90.79 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.21 -0.932 . . . . 0.0 109.962 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.3 m -63.08 -44.92 94.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 0.0 110.063 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.29 -39.29 82.13 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.279 -0.888 . . . . 0.0 110.015 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -59.25 -45.17 91.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.152 -0.968 . . . . 0.0 110.353 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.4 t -67.85 -49.46 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.059 -1.026 . . . . 0.0 110.302 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.481 ' SD ' HD12 ' A' ' 63' ' ' ILE . 70.2 mtm -67.94 -46.27 71.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.121 -0.987 . . . . 0.0 110.785 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -69.29 -43.08 74.57 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.925 -1.11 . . . . 0.0 111.472 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.1 m -69.01 -49.32 58.78 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.12 -0.988 . . . . 0.0 111.941 -178.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.9 mt -73.21 -33.63 65.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.966 -1.084 . . . . 0.0 111.549 -177.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.868 HG21 ' NZ ' ' A' ' 60' ' ' LYS . 76.3 mt -79.4 -40.31 21.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 120.884 -1.135 . . . . 0.0 111.698 -178.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -83.76 -36.67 23.44 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.88 -1.138 . . . . 0.0 111.951 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -86.17 114.61 23.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.64 -1.287 . . . . 0.0 110.157 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.496 ' CG ' ' N ' ' A' ' 87' ' ' GLU . 1.6 pt20 -62.23 -41.12 98.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.586 -0.697 . . . . 0.0 110.566 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.496 ' N ' ' CG ' ' A' ' 86' ' ' GLN . 97.0 mt-10 -63.3 -40.09 96.38 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.241 -0.912 . . . . 0.0 110.416 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -60.6 -32.4 71.53 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.935 -1.103 . . . . 0.0 108.663 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.44 -41.66 72.57 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.262 -0.898 . . . . 0.0 109.212 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.439 ' HG3' HG21 ' A' ' 131' ' ' ILE . 28.1 tttt -65.19 -48.59 72.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.213 -0.929 . . . . 0.0 110.752 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.76 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -63.53 -41.8 93.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 120.824 -1.173 . . . . 0.0 108.938 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.76 ' N ' HD12 ' A' ' 91' ' ' ILE . 55.4 t80 -64.17 -48.85 74.35 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.663 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 83.4 mtp -68.09 -40.36 82.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.377 -0.827 . . . . 0.0 109.757 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.5 tp -60.39 -39.15 86.28 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -61.15 -44.75 96.83 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.407 -0.808 . . . . 0.0 108.884 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -65.19 -43.37 91.84 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.474 -0.766 . . . . 0.0 109.482 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 93' ' ' MET . 63.7 p -59.81 -42.54 93.69 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.235 -0.916 . . . . 0.0 109.533 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.2 ttp -60.38 -45.55 93.13 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.327 -0.858 . . . . 0.0 108.852 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 m -67.02 -41.55 86.43 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.388 -0.82 . . . . 0.0 109.174 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.5 tp -64.41 -39.01 93.03 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.4 -0.813 . . . . 0.0 109.542 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.431 ' CE2' HD11 ' A' ' 105' ' ' LEU . 87.7 t80 -61.6 -48.26 81.74 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.304 -0.873 . . . . 0.0 110.05 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -63.87 -47.18 81.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.074 -1.016 . . . . 0.0 109.483 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.15 -34.84 79.35 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.427 -0.796 . . . . 0.0 109.577 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -60.81 -46.0 92.24 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.192 -0.942 . . . . 0.0 109.529 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.431 HD11 ' CE2' ' A' ' 101' ' ' TYR . 85.2 mt -60.88 -46.51 90.31 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.253 -0.904 . . . . 0.0 109.17 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -60.78 -37.35 81.59 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 121.098 -1.001 . . . . 0.0 109.076 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' A' ' 111' ' ' GLY . 63.2 tt0 -60.59 -39.57 88.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.331 -0.856 . . . . 0.0 109.363 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.919 HD13 ' CE2' ' A' ' 157' ' ' TYR . 95.3 mt -63.05 -43.0 99.84 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.165 -0.96 . . . . 0.0 109.494 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -78.61 -52.36 8.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.272 -0.892 . . . . 0.0 110.094 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -77.44 -23.51 50.5 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.418 -0.801 . . . . 0.0 110.314 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -105.86 154.12 17.03 Favored Glycine 0 N--CA 1.494 2.557 0 C-N-CA 119.729 -1.224 . . . . 0.0 110.268 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -71.54 154.22 60.18 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.901 2.401 . . . . 0.0 112.053 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.416 ' HE1' ' HB3' ' A' ' 108' ' ' LEU . 15.3 m-90 -94.17 120.44 34.42 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.154 -0.966 . . . . 0.0 109.627 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.3 m-20 -134.91 163.42 29.87 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.345 -0.847 . . . . 0.0 108.882 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -59.83 -36.74 68.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 O-C-N 120.972 -1.08 . . . . 0.0 108.661 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.457 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 1.8 mpp? -60.59 -40.57 92.26 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.532 -0.73 . . . . 0.0 109.34 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.7 HD21 HD21 ' A' ' 108' ' ' LEU . 8.6 tt -62.56 -39.69 94.46 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.406 -0.809 . . . . 0.0 109.382 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -60.15 -41.26 92.41 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.249 -0.907 . . . . 0.0 109.057 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.429 ' HB3' HH12 ' A' ' 7' ' ' ARG . 97.4 mtt180 -61.78 -40.22 94.42 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.417 -0.802 . . . . 0.0 109.177 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.5 p -64.63 -35.1 79.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.346 -0.846 . . . . 0.0 109.493 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.661 HD22 HD22 ' A' ' 158' ' ' LEU . 7.7 tt -64.44 -41.0 96.8 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.161 -0.962 . . . . 0.0 109.005 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -61.97 -39.38 91.94 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.294 -0.879 . . . . 0.0 109.16 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.65 -42.62 99.16 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.284 -0.885 . . . . 0.0 109.531 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 24.6 m -60.0 -44.9 94.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.185 -0.947 . . . . 0.0 109.384 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.51 -37.88 76.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.562 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.1 m-20 -61.82 -40.2 94.45 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.387 -0.821 . . . . 0.0 109.538 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.568 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 83.9 mt -58.88 -51.47 69.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.153 -0.967 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -72.67 -43.4 63.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.325 -0.86 . . . . 0.0 109.576 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.0 m -64.33 -38.79 92.28 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.37 -0.831 . . . . 0.0 110.489 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 127' ' ' LEU . 29.5 p -68.22 -50.37 54.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.984 -1.072 . . . . 0.0 109.904 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.531 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 83.5 mt -62.4 -46.15 97.09 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 O-C-N 121.022 -1.049 . . . . 0.0 109.204 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 136' ' ' LYS . 20.5 tp -61.08 -36.82 80.66 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.559 -0.713 . . . . 0.0 109.137 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -59.2 -46.56 88.1 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.368 -0.832 . . . . 0.0 110.257 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.78 -47.12 82.2 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.008 -1.058 . . . . 0.0 110.018 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 23.5 m95 -88.56 4.2 47.7 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.374 -0.829 . . . . 0.0 110.722 -179.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 132' ' ' LEU . 2.4 tttm -53.42 -40.77 65.39 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.037 -1.04 . . . . 0.0 109.348 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.51 -17.46 64.17 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.33 -0.856 . . . . 0.0 109.179 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -88.95 -8.17 54.65 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.425 -0.797 . . . . 0.0 110.21 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.7 mt -108.61 147.04 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.242 -0.911 . . . . 0.0 109.595 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 56.3 p -77.15 154.92 32.7 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.33 -0.856 . . . . 0.0 109.333 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.85 -42.41 84.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.304 -0.873 . . . . 0.0 110.076 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.6 m -64.38 -46.44 83.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.893 -1.129 . . . . 0.0 109.47 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 24.9 m -64.87 -45.79 84.57 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.158 -0.964 . . . . 0.0 108.635 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.61 -39.94 95.65 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -49.9 -44.99 50.4 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.274 -0.891 . . . . 0.0 108.674 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.2 m -61.49 -42.05 98.2 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.679 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.5 -39.07 88.49 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.302 -0.873 . . . . 0.0 109.584 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.485 ' HA ' ' NE2' ' A' ' 148' ' ' GLN . 9.2 mm100 -60.27 -37.55 80.79 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 118.812 -1.155 . . . . 0.0 108.096 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -61.86 -41.41 97.81 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.436 -0.79 . . . . 0.0 109.471 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -58.42 -42.44 87.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.086 -1.009 . . . . 0.0 108.675 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 31.3 mm -64.59 -41.36 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 12.8 tttm -57.61 -39.87 77.85 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.51 ' HA ' HD12 ' A' ' 156' ' ' ILE . 68.0 t80 -59.18 -44.17 92.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.345 -0.847 . . . . 0.0 108.778 179.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 3.8 m -61.9 -50.7 71.14 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.303 -0.873 . . . . 0.0 108.725 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -63.06 -33.36 75.27 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.466 -0.771 . . . . 0.0 109.573 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 153' ' ' TYR . 11.7 mt -58.12 -49.17 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.146 -0.972 . . . . 0.0 110.163 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.919 ' CE2' HD13 ' A' ' 108' ' ' LEU . 71.1 t80 -64.05 -43.84 94.28 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 119.058 -1.057 . . . . 0.0 108.353 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.661 HD22 HD22 ' A' ' 121' ' ' LEU . 35.9 tp -59.57 -39.79 85.23 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.2 m -60.45 -42.82 96.94 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.172 -0.955 . . . . 0.0 109.433 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -62.4 -37.36 85.49 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.113 -0.992 . . . . 0.0 109.208 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 64.9 mt -59.42 -39.07 82.3 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.998 -1.064 . . . . 0.0 108.4 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.48 80.98 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -81.33 -12.81 58.92 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.306 -0.871 . . . . 0.0 109.165 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.7 0.11 69.67 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -94.89 145.96 24.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.156 -1.202 . . . . 0.0 109.797 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 38.0 mm -117.14 136.3 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.409 -0.807 . . . . 0.0 109.441 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 176' ' ' ASN . . . . . 0.471 ' OD1' ' O ' ' B' ' 176' ' ' ASN . 37.1 p-10 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 t -106.2 113.27 63.62 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.292 -0.88 . . . . 0.0 109.273 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -49.82 143.94 21.96 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.962 1.774 . . . . 0.0 112.11 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -109.04 152.1 25.46 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.381 -0.824 . . . . 0.0 109.508 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 83.0 mt -57.92 -37.12 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.23 -0.919 . . . . 0.0 109.375 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 181' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' B' ' 182' ' ' ALA . 25.4 mttm -58.11 -34.41 70.18 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.321 -0.862 . . . . 0.0 109.398 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 182' ' ' ALA . . . . . 0.485 ' O ' ' O ' ' B' ' 181' ' ' LYS . . . 55.61 111.18 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.321 -0.862 . . . . 0.0 109.64 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -58.05 -38.04 75.56 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.241 -0.912 . . . . 0.0 109.43 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -109.83 153.71 24.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.383 -0.823 . . . . 0.0 109.475 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 185' ' ' VAL . . . . . 0.456 HG12 ' H ' ' B' ' 187' ' ' VAL . 24.3 t -114.07 136.31 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.382 -0.824 . . . . 0.0 109.436 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -55.73 -35.41 66.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.371 -0.831 . . . . 0.0 109.793 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 187' ' ' VAL . . . . . 0.456 ' H ' HG12 ' B' ' 185' ' ' VAL . 78.0 t -61.15 -41.31 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.147 -0.971 . . . . 0.0 109.593 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.552 ' OD2' ' NE2' ' A' ' 43' ' ' GLN . 55.7 t0 -59.82 -35.19 74.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.855 -1.153 . . . . 0.0 109.613 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -59.82 -47.09 87.11 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.282 -0.886 . . . . 0.0 110.862 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 190' ' ' GLU . . . . . 0.405 ' H ' ' HG2' ' B' ' 190' ' ' GLU . 11.7 pt-20 -67.54 -41.06 84.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.118 -0.989 . . . . 0.0 110.301 -179.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -57.66 -41.17 80.95 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.75 -1.219 . . . . 0.0 109.425 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.38 -38.87 91.3 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.262 -0.899 . . . . 0.0 109.134 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.62 -40.49 95.05 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.286 -0.884 . . . . 0.0 109.136 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -61.24 -42.21 98.22 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.373 -0.829 . . . . 0.0 109.375 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.16 -41.75 89.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.178 -0.951 . . . . 0.0 109.097 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.96 -40.39 94.93 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.28 -0.887 . . . . 0.0 109.484 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.07 -35.78 82.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.196 -0.94 . . . . 0.0 109.431 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -62.11 -44.2 97.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.26 -0.9 . . . . 0.0 109.237 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 199' ' ' LEU . . . . . 0.74 ' CD2' HG21 ' A' ' 32' ' ' VAL . 61.3 tp -63.92 -42.69 97.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.234 -0.916 . . . . 0.0 109.772 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 200' ' ' ARG . . . . . 0.464 ' O ' ' OXT' ' B' ' 204' ' ' GLY . 57.8 mtp180 -59.03 -36.37 74.88 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.099 -1.001 . . . . 0.0 108.782 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.53 -36.37 83.61 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 202' ' ' LEU . . . . . 0.45 HD21 HG21 ' A' ' 56' ' ' ILE . 15.3 tp -59.24 -39.29 82.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.409 -0.807 . . . . 0.0 108.827 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 203' ' ' ARG . . . . . 0.461 ' HD3' HD22 ' A' ' 29' ' ' LEU . 80.0 mtm180 -92.96 -2.63 55.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.342 -0.849 . . . . 0.0 109.388 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 204' ' ' GLY . . . . . 0.464 ' OXT' ' O ' ' B' ' 200' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.236 0 CA-C-O 118.004 -1.442 . . . . 0.0 109.534 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.933 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -59.93 -39.34 85.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 0.0 109.322 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -63.88 -38.79 92.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.221 -0.925 . . . . 0.0 109.312 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -59.16 -39.89 83.9 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.892 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -65.11 -39.39 93.05 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.29 -47.22 84.35 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.419 -0.8 . . . . 0.0 109.677 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -60.91 -40.6 93.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.1 -1.0 . . . . 0.0 109.281 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.521 ' CG1' HD13 ' A' ' 27' ' ' LEU . 53.5 t -62.42 -39.55 84.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.33 -0.856 . . . . 0.0 109.47 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.98 -41.8 90.49 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.216 -0.928 . . . . 0.0 108.653 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -45.54 78.47 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.306 -0.871 . . . . 0.0 109.102 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.07 -33.33 75.26 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.76 97.16 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.24 -0.912 . . . . 0.0 108.946 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -61.51 -40.79 95.88 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.236 -0.915 . . . . 0.0 108.558 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -59.14 -39.17 81.55 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.441 -0.787 . . . . 0.0 109.054 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -62.64 -42.54 99.66 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.523 -0.736 . . . . 0.0 109.539 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -58.78 -39.41 80.95 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.927 . . . . 0.0 109.0 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -61.42 -32.92 72.88 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.404 -0.81 . . . . 0.0 109.357 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.2 t -84.12 -14.41 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -0.883 . . . . 0.0 109.722 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.12 23.61 34.35 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.2 mt -95.29 54.11 1.59 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.282 -1.128 . . . . 0.0 109.02 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.1 -27.55 67.48 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.407 ' N ' HD13 ' A' ' 22' ' ' ILE . 9.0 mm -58.2 -55.13 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 120.91 -1.347 . . . . 0.0 109.765 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mp -68.07 -33.81 63.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.007 -1.058 . . . . 0.0 108.565 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.2 -46.18 94.21 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.738 ' CE2' HD11 ' A' ' 29' ' ' LEU . 66.9 t80 -60.98 -48.25 82.69 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.101 -1.235 . . . . 0.0 109.835 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.521 ' CB ' ' SD ' ' A' ' 93' ' ' MET . 87.5 t80 -67.61 -45.62 74.9 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.226 -0.921 . . . . 0.0 110.943 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.73 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -67.39 -36.57 81.59 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.902 -1.124 . . . . 0.0 110.133 -179.019 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.67 ' NE2' HG22 ' A' ' 55' ' ' THR . 84.8 mt-30 -62.8 -40.26 96.8 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.823 -1.173 . . . . 0.0 108.931 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.738 HD11 ' CE2' ' A' ' 25' ' ' TYR . 85.4 mt -61.04 -38.2 85.3 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.663 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 78.7 t80 -65.83 -36.02 82.3 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.158 -0.964 . . . . 0.0 109.166 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.51 -45.93 92.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.305 -0.872 . . . . 0.0 110.234 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.404 ' H ' HG12 ' A' ' 32' ' ' VAL . 2.0 p -65.6 -41.95 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.769 -1.207 . . . . 0.0 108.93 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.515 ' OE2' ' NH1' ' B' ' 203' ' ' ARG . 97.5 mt-10 -61.65 -35.61 78.43 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.87 -1.144 . . . . 0.0 108.917 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.892 HD23 ' HB2' ' A' ' 5' ' ' ALA . 39.7 tp -63.41 -42.06 98.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.377 -0.827 . . . . 0.0 109.607 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.9 mt -63.89 -48.2 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 O-C-N 121.167 -0.958 . . . . 0.0 109.804 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.3 mp -64.17 -35.57 81.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.321 -0.862 . . . . 0.0 109.3 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.0 m -80.79 -0.35 38.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.305 -0.872 . . . . 0.0 108.72 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.933 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 84.5 tt0 -94.48 150.66 20.04 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.627 -0.671 . . . . 0.0 109.378 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.36 150.09 15.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.162 -0.961 . . . . 0.0 109.036 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -58.38 129.04 40.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.25 -0.906 . . . . 0.0 110.018 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -122.93 171.55 9.14 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.3 p -57.15 171.62 0.36 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.32 -0.862 . . . . 0.0 110.378 -178.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -55.5 -24.0 29.24 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.767 -0.583 . . . . 0.0 111.079 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.22 -41.62 37.84 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.684 -1.26 . . . . 0.0 109.509 -178.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -35.62 79.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.88 -1.138 . . . . 0.0 109.262 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.0 m -59.31 -42.84 92.31 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.273 -0.892 . . . . 0.0 109.39 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.71 93.68 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.224 -0.922 . . . . 0.0 109.038 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.28 -39.51 90.69 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.412 -0.805 . . . . 0.0 109.356 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.95 98.11 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.318 -0.864 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 m -60.61 -40.19 90.95 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.236 -0.915 . . . . 0.0 109.134 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.56 -39.22 92.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.335 -0.853 . . . . 0.0 109.649 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.09 -41.91 98.67 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.18 -0.95 . . . . 0.0 109.699 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.503 HD21 ' NH1' ' B' ' 198' ' ' ARG . 41.5 tp -62.45 -41.73 98.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.12 -0.987 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -62.77 -40.68 98.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.458 -0.776 . . . . 0.0 109.419 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.67 HG22 ' NE2' ' A' ' 28' ' ' GLN . 25.6 m -60.45 -42.41 96.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.529 -0.732 . . . . 0.0 109.934 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.706 HG21 HD21 ' B' ' 202' ' ' LEU . 86.8 mt -59.34 -47.3 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.113 -0.992 . . . . 0.0 109.04 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.572 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.9 mt-10 -61.89 -36.17 80.5 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -63.92 -36.1 82.84 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -60.58 -54.5 44.61 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.134 -0.979 . . . . 0.0 109.005 179.602 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -60.48 -39.16 86.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.114 -0.991 . . . . 0.0 108.82 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -82.37 -2.22 52.29 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.446 -0.783 . . . . 0.0 109.831 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 58' ' ' ALA . 84.5 tt0 -49.16 -31.62 8.65 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.164 -0.96 . . . . 0.0 110.014 -179.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.485 HG23 ' HB3' ' A' ' 67' ' ' SER . 29.7 mm -67.13 -40.24 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.015 -1.053 . . . . 0.0 109.165 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.62 -5.81 10.34 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 89.79 -7.99 80.69 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -67.22 -47.2 71.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.047 -1.266 . . . . 0.0 108.856 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.485 ' HB3' HG23 ' A' ' 63' ' ' ILE . 10.9 t -73.48 -30.84 63.42 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -58.68 -30.84 67.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.566 -0.709 . . . . 0.0 109.98 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.27 -36.8 66.5 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.036 -1.04 . . . . 0.0 109.788 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -106.05 134.35 49.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.26 -0.9 . . . . 0.0 109.208 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 50.08 46.36 24.65 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.06 -1.025 . . . . 0.0 108.362 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.4 t -50.56 -39.52 49.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.532 -0.73 . . . . 0.0 110.226 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.587 ' OD1' ' N ' ' A' ' 74' ' ' LYS . 32.9 p-10 -63.18 -40.9 98.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.111 -0.993 . . . . 0.0 110.128 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.587 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 56.4 tttt -62.75 -39.35 93.87 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.224 -0.922 . . . . 0.0 109.775 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.6 p -64.48 -42.65 95.76 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.281 -0.887 . . . . 0.0 109.891 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.1 mt -68.41 -39.6 81.55 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.322 -0.861 . . . . 0.0 109.825 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' A' ' 81' ' ' THR . 36.3 m80 -60.91 -45.1 96.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.313 -0.867 . . . . 0.0 110.455 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.62 -49.99 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.053 -1.029 . . . . 0.0 110.133 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.453 ' O ' HD12 ' A' ' 83' ' ' ILE . 70.6 mtm -68.56 -46.55 69.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.186 -0.947 . . . . 0.0 110.819 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.437 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 80.5 m-20 -69.82 -42.95 72.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.081 -1.012 . . . . 0.0 111.482 -178.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 39.4 m -65.73 -49.63 67.73 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.109 -0.994 . . . . 0.0 111.884 -177.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.424 HD23 ' HG3' ' A' ' 88' ' ' LYS . 15.2 mt -72.49 -33.93 67.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.844 -1.16 . . . . 0.0 111.084 -178.409 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 79' ' ' MET . 86.1 mt -79.31 -34.49 16.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.065 -1.022 . . . . 0.0 111.456 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 73.3 m80 -92.87 -37.97 11.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.872 -1.143 . . . . 0.0 111.757 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -84.25 107.6 16.65 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.721 -1.237 . . . . 0.0 110.372 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.25 -36.93 83.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.455 -0.778 . . . . 0.0 110.223 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.19 -45.2 95.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.056 -1.027 . . . . 0.0 108.843 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.424 ' HG3' HD23 ' A' ' 82' ' ' LEU . 5.8 tptm -68.57 -34.35 75.67 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.27 -47.68 55.5 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.449 -0.782 . . . . 0.0 110.315 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -61.53 -48.34 81.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.081 -1.012 . . . . 0.0 110.576 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.666 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.4 pp -61.76 -41.21 89.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 120.995 -1.066 . . . . 0.0 108.926 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.666 ' N ' HD12 ' A' ' 91' ' ' ILE . 46.2 t80 -63.67 -48.53 76.8 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.521 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 75.8 mtm -65.73 -41.9 91.66 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.359 -0.838 . . . . 0.0 109.307 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.88 -39.75 93.02 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.273 -0.892 . . . . 0.0 109.187 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -59.83 -44.98 93.78 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.388 -0.82 . . . . 0.0 109.546 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.547 ' HE2' HD22 ' A' ' 100' ' ' LEU . 64.1 t80 -63.69 -44.42 93.73 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.269 -0.895 . . . . 0.0 109.709 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.41 ' HB ' ' CE1' ' A' ' 128' ' ' PHE . 18.1 p -61.96 -42.83 99.56 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.262 -0.899 . . . . 0.0 109.964 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 91.1 mtp -64.78 -43.43 93.24 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.076 -1.015 . . . . 0.0 109.273 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.5 m -70.11 -42.12 73.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.421 -0.8 . . . . 0.0 109.436 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.547 HD22 ' HE2' ' A' ' 96' ' ' PHE . 30.9 tp -63.64 -42.92 98.1 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.356 -0.84 . . . . 0.0 109.704 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.672 ' CE2' HD11 ' A' ' 105' ' ' LEU . 82.8 t80 -61.01 -42.83 99.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.323 -0.861 . . . . 0.0 109.758 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -58.83 -41.39 86.77 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.278 -0.889 . . . . 0.0 109.522 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.31 -39.3 92.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.284 -0.885 . . . . 0.0 109.669 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.552 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 39.6 mmtt -62.6 -40.44 96.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.235 -0.916 . . . . 0.0 109.489 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.672 HD11 ' CE2' ' A' ' 101' ' ' TYR . 82.2 mt -60.17 -44.62 94.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.259 -0.901 . . . . 0.0 109.507 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -60.71 -39.46 88.63 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.197 -0.939 . . . . 0.0 109.845 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 111' ' ' GLY . 94.7 mt-30 -62.89 -40.89 98.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.204 -0.935 . . . . 0.0 110.027 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.84 -37.42 87.56 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.84 -1.163 . . . . 0.0 109.728 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -78.12 -53.31 7.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.252 -0.905 . . . . 0.0 110.742 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -98.5 -22.91 15.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.232 -0.917 . . . . 0.0 110.897 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -88.6 153.32 23.95 Favored Glycine 0 N--CA 1.492 2.432 0 C-N-CA 119.494 -1.336 . . . . 0.0 110.017 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.93 153.39 72.7 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 122.806 2.337 . . . . 0.0 111.902 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.736 ' CZ2' HG21 ' A' ' 166' ' ' ILE . 15.3 m-90 -92.46 115.06 27.76 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.122 -0.986 . . . . 0.0 109.76 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 43.8 t0 -135.57 167.31 21.34 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.341 -0.849 . . . . 0.0 109.211 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.46 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 3.9 m -62.27 -32.56 55.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.367 -0.833 . . . . 0.0 109.623 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 115' ' ' VAL . 69.2 mtm -60.13 -39.9 87.88 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.288 -0.882 . . . . 0.0 109.923 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.6 mm? -65.29 -38.79 91.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.217 -0.927 . . . . 0.0 109.403 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.479 ' HE3' HD13 ' A' ' 161' ' ' LEU . 34.2 mttp -60.93 -42.79 98.86 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.292 -0.88 . . . . 0.0 109.539 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -62.12 -42.36 99.16 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.331 -0.856 . . . . 0.0 109.879 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.552 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 8.2 t -64.52 -43.4 94.16 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.26 -0.9 . . . . 0.0 109.807 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 1.036 HD23 HD21 ' A' ' 158' ' ' LEU . 41.1 tp -62.3 -43.08 99.66 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.297 -0.877 . . . . 0.0 109.495 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.677 ' CE2' HD13 ' A' ' 158' ' ' LEU . 41.4 m95 -61.93 -39.74 93.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.144 -0.972 . . . . 0.0 108.962 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.6 m -64.38 -41.16 96.84 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.218 -0.926 . . . . 0.0 108.735 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 70.8 m -59.31 -44.26 92.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.346 -0.846 . . . . 0.0 109.269 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.0 -38.53 77.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.19 -0.944 . . . . 0.0 108.926 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.531 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.5 m-20 -60.23 -39.06 85.37 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.347 -0.846 . . . . 0.0 109.041 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.24 -42.98 99.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.398 -0.813 . . . . 0.0 109.259 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.41 ' CE1' ' HB ' ' A' ' 97' ' ' THR . 26.4 m-85 -66.55 -43.4 85.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.36 -0.837 . . . . 0.0 109.81 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.0 m -64.7 -38.01 89.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.335 -0.853 . . . . 0.0 110.246 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.663 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 60.0 m -67.32 -49.54 63.72 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.214 -0.929 . . . . 0.0 110.249 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.1 pp -77.29 -43.27 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.091 -1.005 . . . . 0.0 110.285 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.581 HD21 ' OE1' ' A' ' 148' ' ' GLN . 44.5 tp -62.22 -40.99 97.97 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.901 -1.124 . . . . 0.0 109.808 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -68.48 -49.49 59.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -0.891 . . . . 0.0 111.048 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.521 HD23 ' CZ3' ' A' ' 135' ' ' TRP . 56.9 tp -61.91 -47.1 86.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.909 -1.119 . . . . 0.0 110.652 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.521 ' CZ3' HD23 ' A' ' 134' ' ' LEU . 11.9 m-90 -88.01 4.66 44.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.042 -1.036 . . . . 0.0 110.462 -179.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -49.18 -37.41 22.47 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.221 -0.924 . . . . 0.0 109.514 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -62.78 -26.24 68.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.222 -0.924 . . . . 0.0 109.243 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -89.3 -0.74 57.7 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.273 -0.892 . . . . 0.0 109.853 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.496 HG22 ' OG ' ' A' ' 143' ' ' SER . 16.1 mm -102.67 143.17 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.016 -1.053 . . . . 0.0 109.229 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.415 ' N ' ' OG ' ' A' ' 143' ' ' SER . 28.9 t -77.97 154.03 31.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.874 . . . . 0.0 109.186 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.16 -41.99 72.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.198 -0.939 . . . . 0.0 109.762 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 39.5 m -72.87 -44.18 61.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.879 -1.138 . . . . 0.0 109.454 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.496 ' OG ' HG22 ' A' ' 139' ' ' ILE . 87.8 p -63.46 -41.53 98.62 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.24 -0.913 . . . . 0.0 109.373 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.527 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.5 OUTLIER -62.03 -39.05 90.99 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.07 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ASN . . . . . 0.459 ' OD1' ' NZ ' ' A' ' 149' ' ' LYS . 33.1 t-20 -58.1 -42.61 86.04 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.549 -0.719 . . . . 0.0 109.366 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.4 m -60.96 -47.4 86.6 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.251 -0.906 . . . . 0.0 110.129 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.478 HD12 ' H ' ' A' ' 147' ' ' LEU . 6.6 mp -63.69 -38.8 92.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.083 -1.011 . . . . 0.0 108.941 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.618 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -62.19 -36.95 83.49 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.332 -0.855 . . . . 0.0 109.282 179.641 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LYS . . . . . 0.459 ' NZ ' ' OD1' ' A' ' 145' ' ' ASN . 29.3 mttp -62.74 -42.55 99.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.125 -0.984 . . . . 0.0 109.464 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -63.23 -42.05 99.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.182 -0.949 . . . . 0.0 109.381 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.14 -41.51 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.333 -0.854 . . . . 0.0 109.357 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -59.31 -40.68 86.99 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.331 -0.856 . . . . 0.0 108.799 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.42 ' HA ' HD12 ' A' ' 156' ' ' ILE . 73.1 t80 -58.51 -43.68 89.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.406 -0.809 . . . . 0.0 109.146 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 4.2 m -65.4 -50.33 65.89 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.293 -0.879 . . . . 0.0 108.857 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -60.23 -35.97 76.65 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 153' ' ' TYR . 13.8 mt -58.49 -41.9 82.99 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 O-C-N 121.435 -0.791 . . . . 0.0 109.535 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.509 ' CE2' HD11 ' A' ' 161' ' ' LEU . 74.1 t80 -62.6 -40.18 96.11 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.288 -0.883 . . . . 0.0 108.677 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 1.036 HD21 HD23 ' A' ' 121' ' ' LEU . 88.1 mt -58.83 -40.96 85.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.204 -0.935 . . . . 0.0 109.188 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.7 m -62.11 -40.64 96.55 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.2 -0.938 . . . . 0.0 109.205 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.435 ' HZ1' ' HA3' ' A' ' 167' ' ' GLY . 52.4 mtmt -61.82 -38.61 88.8 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.192 -0.942 . . . . 0.0 109.257 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.509 HD11 ' CE2' ' A' ' 157' ' ' TYR . 73.3 mt -62.64 -37.47 86.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.166 -0.959 . . . . 0.0 108.801 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.74 84.65 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.346 -0.846 . . . . 0.0 109.169 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -81.84 -9.78 59.51 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.325 -0.859 . . . . 0.0 109.398 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 89.53 3.3 74.97 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -94.73 141.33 28.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.227 -1.16 . . . . 0.0 109.673 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.736 HG21 ' CZ2' ' A' ' 113' ' ' TRP . 36.1 mm -115.81 134.45 59.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.413 -0.805 . . . . 0.0 109.372 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 166' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.272 0 CA-C-O 118.047 -1.418 . . . . 0.0 109.564 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 47.2 t30 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.255 0.55 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 45.4 t -67.9 135.43 92.04 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.233 -0.917 . . . . 0.0 109.098 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -64.32 146.78 90.53 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 C-N-CA 121.877 1.718 . . . . 0.0 112.187 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 179' ' ' GLU . . . . . 0.496 ' O ' ' O ' ' B' ' 182' ' ' ALA . 21.9 pt-20 -66.97 -18.33 65.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 0.0 109.79 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 84.9 mt -54.88 -40.17 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.103 -0.998 . . . . 0.0 109.708 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -59.85 -38.5 82.27 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.257 -0.902 . . . . 0.0 109.85 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 182' ' ' ALA . . . . . 0.496 ' O ' ' O ' ' B' ' 179' ' ' GLU . . . -154.24 155.22 34.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.051 -1.031 . . . . 0.0 109.811 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -86.22 150.14 24.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.315 -0.866 . . . . 0.0 109.429 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.46 142.08 40.09 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.135 -0.978 . . . . 0.0 109.459 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 41.0 t -121.59 138.38 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.481 -0.762 . . . . 0.0 109.554 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -83.41 158.27 22.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.252 -0.905 . . . . 0.0 109.59 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.95 -40.1 87.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.373 -0.83 . . . . 0.0 109.656 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.78 -34.65 73.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.992 -1.067 . . . . 0.0 109.742 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -57.12 -47.72 80.41 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.25 -0.906 . . . . 0.0 110.666 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -69.07 -41.47 77.5 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.119 -0.988 . . . . 0.0 110.173 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -58.75 -41.29 86.18 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.844 -1.16 . . . . 0.0 109.57 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.12 -38.51 90.89 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.126 -0.984 . . . . 0.0 109.215 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -59.22 -41.44 88.65 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.204 -0.935 . . . . 0.0 108.857 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -62.07 -40.55 96.18 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.278 -0.889 . . . . 0.0 109.166 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 43.7 tp -57.96 -39.64 78.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.337 -0.852 . . . . 0.0 109.435 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.74 98.66 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.926 . . . . 0.0 109.268 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 197' ' ' GLN . . . . . 0.408 ' HG3' HH21 ' B' ' 200' ' ' ARG . 51.2 tt0 -65.14 -35.62 81.69 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.248 -0.908 . . . . 0.0 109.232 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 198' ' ' ARG . . . . . 0.572 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 63.9 ttt-85 -62.4 -42.26 99.29 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.246 -0.909 . . . . 0.0 109.363 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.51 -44.19 96.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.276 -0.89 . . . . 0.0 109.478 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 200' ' ' ARG . . . . . 0.408 HH21 ' HG3' ' B' ' 197' ' ' GLN . 33.5 mtm105 -60.12 -36.94 78.58 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.167 -0.958 . . . . 0.0 108.966 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.02 82.41 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 202' ' ' LEU . . . . . 0.706 HD21 HG21 ' A' ' 56' ' ' ILE . 17.5 tp -59.97 -38.49 82.67 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.393 -0.817 . . . . 0.0 108.855 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 203' ' ' ARG . . . . . 0.732 ' HD3' HD22 ' A' ' 29' ' ' LEU . 56.9 mtm180 -87.52 -9.95 53.06 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.341 -0.849 . . . . 0.0 109.356 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 CA-C-O 118.004 -1.442 . . . . 0.0 109.499 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.508 ' N ' ' NH2' ' A' ' 41' ' ' ARG . 87.8 mtp . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.539 ' N ' ' OE2' ' A' ' 38' ' ' GLU . . . -59.18 -40.79 86.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.23 -0.919 . . . . 0.0 109.08 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -63.43 -38.3 90.62 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.163 -0.96 . . . . 0.0 108.973 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -57.08 -39.84 75.74 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.812 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.04 -40.01 95.36 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.22 96.65 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.437 -0.789 . . . . 0.0 109.26 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.424 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.12 -41.64 93.05 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.248 -0.908 . . . . 0.0 108.641 179.621 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.3 t -60.84 -37.44 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.373 -0.83 . . . . 0.0 109.12 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.63 -37.99 77.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.2 98.07 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.3 p -69.98 -34.85 73.89 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.308 -0.87 . . . . 0.0 108.869 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.461 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -56.31 -45.8 80.13 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -64.61 -41.99 95.84 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.317 -0.864 . . . . 0.0 109.14 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -60.55 -42.61 96.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.317 -0.864 . . . . 0.0 109.907 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -61.66 -41.23 97.25 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.153 -0.967 . . . . 0.0 109.383 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.485 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 20.2 t70 -59.02 -38.11 78.5 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.15 -0.969 . . . . 0.0 108.908 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.9 -32.28 71.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.522 -0.736 . . . . 0.0 109.394 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 18' ' ' VAL . 48.0 t -84.12 -9.06 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.383 -0.823 . . . . 0.0 109.492 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.31 13.59 61.5 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.8 mt -95.88 47.93 1.11 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.421 -1.047 . . . . 0.0 109.114 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.68 -30.46 51.59 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.42 HD13 ' N ' ' A' ' 22' ' ' ILE . 8.3 mm -58.6 -51.06 76.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 O-C-N 121.185 -1.185 . . . . 0.0 109.593 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.1 mm -65.32 -42.27 93.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 121.128 -0.983 . . . . 0.0 108.875 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.553 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.91 -39.21 95.23 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.877 ' CE2' HD11 ' A' ' 29' ' ' LEU . 72.9 t80 -63.76 -47.41 81.1 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.961 -1.317 . . . . 0.0 110.573 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.67 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 72.1 t80 -60.34 -45.8 92.18 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.23 -0.919 . . . . 0.0 111.454 -178.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.553 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.9 pp -66.54 -33.93 76.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.608 -1.308 . . . . 0.0 110.044 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.486 ' N ' HD12 ' A' ' 27' ' ' LEU . 92.5 mt-30 -60.18 -40.31 89.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.65 -1.281 . . . . 0.0 108.208 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.877 HD11 ' CE2' ' A' ' 25' ' ' TYR . 87.5 mt -61.46 -38.81 88.57 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.663 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 86.4 t80 -66.23 -36.09 82.12 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.456 -0.778 . . . . 0.0 109.238 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.54 94.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.297 -0.877 . . . . 0.0 110.274 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.449 HG21 HD22 ' B' ' 199' ' ' LEU . 2.2 p -66.12 -42.8 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.812 -1.18 . . . . 0.0 109.168 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.67 -35.08 76.96 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.945 -1.097 . . . . 0.0 108.882 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.812 HD23 ' HB2' ' A' ' 5' ' ' ALA . 25.5 tp -64.03 -43.46 95.49 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.342 -0.848 . . . . 0.0 109.819 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.54 -48.2 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 O-C-N 121.153 -0.967 . . . . 0.0 110.05 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.2 mp -65.1 -36.5 84.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.32 -0.863 . . . . 0.0 109.266 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.6 p -77.33 -19.53 56.21 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.314 -0.866 . . . . 0.0 108.873 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.59 ' OE2' ' NE ' ' A' ' 41' ' ' ARG . 84.5 tt0 -67.7 149.39 50.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.702 -0.624 . . . . 0.0 109.934 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.61 150.02 20.21 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.398 -0.814 . . . . 0.0 109.373 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -58.78 131.16 50.11 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.283 -0.886 . . . . 0.0 110.007 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.59 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 75.1 mtt180 -123.05 170.42 10.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.68 -0.638 . . . . 0.0 109.484 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.0 p -57.77 171.3 0.5 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.231 -0.918 . . . . 0.0 109.678 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.12 -26.13 48.77 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.58 -0.7 . . . . 0.0 110.715 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -52.71 -40.88 63.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.775 -1.203 . . . . 0.0 109.402 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.0 ttp -64.31 -36.4 83.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.124 -0.985 . . . . 0.0 108.641 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.656 HG21 ' OE2' ' B' ' 192' ' ' GLU . 28.1 m -59.64 -40.43 87.62 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.462 -0.774 . . . . 0.0 108.961 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.55 98.84 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.171 -0.956 . . . . 0.0 108.727 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.0 -36.3 83.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.285 -0.884 . . . . 0.0 109.093 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.92 98.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.226 -0.921 . . . . 0.0 108.941 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.7 m -61.71 -41.89 98.21 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.364 -0.835 . . . . 0.0 109.148 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -61.41 -40.77 95.6 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.301 -0.874 . . . . 0.0 109.052 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 52' ' ' LEU . 32.2 tp -59.64 -40.72 88.61 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.335 -0.853 . . . . 0.0 109.109 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.799 HD21 HH11 ' B' ' 198' ' ' ARG . 26.5 tp -60.02 -40.32 88.89 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.335 -0.853 . . . . 0.0 108.705 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -59.89 -39.49 85.53 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.7 m -60.38 -41.58 94.05 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.633 -0.667 . . . . 0.0 109.62 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.643 HG21 HD22 ' B' ' 202' ' ' LEU . 84.1 mt -59.62 -55.09 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.187 -0.946 . . . . 0.0 109.247 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.575 ' OE2' ' NZ ' ' A' ' 61' ' ' LYS . 85.6 tt0 -62.61 -38.0 88.49 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.23 -31.4 69.95 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.428 -0.795 . . . . 0.0 108.91 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 55' ' ' THR . 84.8 t80 -59.23 -54.17 49.97 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.244 -0.91 . . . . 0.0 109.481 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.652 ' HE3' HD11 ' B' ' 202' ' ' LEU . 70.4 mttt -62.46 -43.27 99.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.126 -0.984 . . . . 0.0 109.654 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.575 ' NZ ' ' OE2' ' A' ' 57' ' ' GLU . 19.5 mttp -82.77 -2.98 55.94 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.259 -0.901 . . . . 0.0 110.103 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.5 tt0 -50.01 -33.94 19.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.195 -0.941 . . . . 0.0 109.997 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.2 mt -68.06 -41.09 84.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.131 -0.981 . . . . 0.0 109.744 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.86 -5.37 84.05 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.92 0.1 81.59 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -68.26 -46.9 69.15 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.115 -1.226 . . . . 0.0 109.41 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.8 t -64.6 -39.17 93.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.68 -0.638 . . . . 0.0 109.491 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 68' ' ' GLU . 47.0 mp0 -65.23 -28.55 69.44 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.452 -0.78 . . . . 0.0 109.934 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -39.22 -37.4 0.41 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.341 -0.849 . . . . 0.0 109.854 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -112.5 132.84 54.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.402 -0.811 . . . . 0.0 109.073 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 51.02 48.34 23.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.097 -1.002 . . . . 0.0 109.092 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.2 p -57.59 -36.48 71.79 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.213 -0.929 . . . . 0.0 110.023 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.47 -42.38 96.09 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.958 -1.089 . . . . 0.0 109.65 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -70.77 -48.34 54.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.283 -0.886 . . . . 0.0 110.536 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.9 m -61.61 -44.13 97.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.053 -1.029 . . . . 0.0 110.114 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 76' ' ' LEU . 95.4 mt -66.71 -36.38 82.36 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.32 -0.862 . . . . 0.0 109.807 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' A' ' 81' ' ' THR . 73.9 t60 -60.52 -45.49 93.65 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.342 -0.849 . . . . 0.0 110.007 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.55 -49.78 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.042 -1.036 . . . . 0.0 109.981 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 96.7 mmm -67.98 -46.32 71.68 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.283 -0.885 . . . . 0.0 110.212 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.597 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 55.1 t-20 -68.02 -43.87 77.8 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.141 -0.974 . . . . 0.0 111.097 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.63 HG22 ' HD2' ' A' ' 88' ' ' LYS . 37.5 m -68.13 -47.66 67.5 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.165 -0.96 . . . . 0.0 111.83 -178.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.7 mt -70.27 -34.09 72.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.804 -1.185 . . . . 0.0 111.047 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.9 mt -78.58 -34.25 17.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.051 -1.031 . . . . 0.0 110.951 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.597 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 78.8 m80 -91.72 -27.7 17.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.024 -1.048 . . . . 0.0 111.231 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -87.76 108.0 18.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.728 -1.233 . . . . 0.0 109.724 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -62.19 -39.62 93.31 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.505 -0.747 . . . . 0.0 111.173 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.77 -44.43 96.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.962 -1.087 . . . . 0.0 110.181 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.63 ' HD2' HG22 ' A' ' 81' ' ' THR . 37.7 mttt -63.88 -30.99 72.02 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.158 -0.964 . . . . 0.0 108.991 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.58 67.66 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.249 -0.907 . . . . 0.0 110.134 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -63.51 -48.51 77.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.909 -1.119 . . . . 0.0 110.495 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.757 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -63.96 -40.15 88.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.987 -1.071 . . . . 0.0 108.502 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.757 ' N ' HD12 ' A' ' 91' ' ' ILE . 47.2 t80 -65.66 -48.36 72.38 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.67 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 71.1 mtm -68.74 -39.18 80.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.434 -0.791 . . . . 0.0 110.044 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.4 tp -60.43 -40.88 92.69 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.036 -1.04 . . . . 0.0 108.99 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -63.54 -44.17 95.0 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.32 -0.863 . . . . 0.0 109.171 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -64.09 -42.19 97.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.412 -0.805 . . . . 0.0 109.611 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 93' ' ' MET . 47.5 p -59.68 -43.89 93.84 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.165 -0.959 . . . . 0.0 109.801 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 96.2 mmm -63.76 -43.16 97.23 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.199 -0.938 . . . . 0.0 109.148 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.8 m -70.91 -38.21 72.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.533 -0.729 . . . . 0.0 109.795 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.586 HD21 ' SG ' ' A' ' 124' ' ' CYS . 28.7 tp -62.41 -42.6 99.56 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.257 -0.902 . . . . 0.0 110.152 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.822 ' CE2' HD11 ' A' ' 105' ' ' LEU . 88.3 t80 -67.9 -48.03 67.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.158 -0.964 . . . . 0.0 110.332 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -59.11 -45.08 91.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.105 -0.997 . . . . 0.0 109.478 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.18 -37.93 89.18 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.319 -0.863 . . . . 0.0 109.388 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -60.73 -45.02 95.85 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.272 -0.892 . . . . 0.0 109.66 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.822 HD11 ' CE2' ' A' ' 101' ' ' TYR . 77.3 mt -59.73 -41.8 91.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.197 -0.939 . . . . 0.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -61.58 -38.62 88.21 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.175 -0.953 . . . . 0.0 109.598 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.581 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.5 mm-40 -62.03 -39.77 93.45 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.163 -0.96 . . . . 0.0 109.904 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.915 HD13 HD11 ' A' ' 161' ' ' LEU . 52.7 mt -65.28 -39.07 92.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.029 -1.045 . . . . 0.0 109.207 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -78.37 -53.24 7.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.407 -0.808 . . . . 0.0 110.367 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -85.33 -23.01 28.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.373 -0.829 . . . . 0.0 110.457 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -110.52 155.69 15.97 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.099 -1.201 . . . . 0.0 110.099 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.61 150.58 83.78 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.803 2.335 . . . . 0.0 111.844 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.489 ' CZ2' HG21 ' A' ' 166' ' ' ILE . 0.4 OUTLIER -91.52 123.84 35.24 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.268 -0.895 . . . . 0.0 109.644 -179.638 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -134.35 166.11 23.59 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.259 -0.901 . . . . 0.0 109.334 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.93 -32.02 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 121.194 -0.941 . . . . 0.0 109.417 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.7 mtm -59.62 -40.31 87.14 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.457 -0.777 . . . . 0.0 109.633 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.87 -38.18 90.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.281 -0.887 . . . . 0.0 109.33 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -60.95 -41.27 95.97 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.193 -0.942 . . . . 0.0 109.117 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -62.27 -40.41 96.13 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.345 -0.847 . . . . 0.0 109.462 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.8 t -61.99 -41.43 98.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.255 -0.903 . . . . 0.0 109.691 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.446 HD23 HD22 ' A' ' 158' ' ' LEU . 17.2 tp -62.25 -43.16 99.46 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.238 -0.913 . . . . 0.0 109.293 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -57.09 -40.05 76.21 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.992 -1.068 . . . . 0.0 108.625 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.0 m -68.16 -42.39 80.14 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.324 -0.86 . . . . 0.0 108.887 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.586 ' SG ' HD21 ' A' ' 100' ' ' LEU . 53.5 m -60.11 -46.53 89.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.242 -0.911 . . . . 0.0 109.67 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.23 -37.51 73.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.121 -0.987 . . . . 0.0 108.56 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.77 -39.25 91.0 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.36 -0.837 . . . . 0.0 109.256 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.56 -44.82 93.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.211 -0.931 . . . . 0.0 109.288 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.736 ' CD1' HD11 ' A' ' 151' ' ' ILE . 35.8 t80 -68.66 -43.32 76.44 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.33 -0.856 . . . . 0.0 109.694 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.6 m -64.22 -39.58 94.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.32 -0.862 . . . . 0.0 110.477 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.663 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 71.6 m -67.46 -49.96 61.27 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.015 -1.053 . . . . 0.0 110.018 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 79.1 mt -65.05 -46.15 92.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.153 -0.967 . . . . 0.0 109.366 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.587 ' O ' ' N ' ' A' ' 136' ' ' LYS . 40.7 tp -63.1 -39.16 93.88 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.46 -0.775 . . . . 0.0 109.693 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -58.41 -49.42 77.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.238 -0.914 . . . . 0.0 110.055 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 38.4 tp -64.59 -43.16 94.71 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.09 -1.007 . . . . 0.0 109.693 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -87.12 -1.2 57.71 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.374 -0.829 . . . . 0.0 110.297 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.3 OUTLIER -52.96 -35.52 58.99 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.151 -0.968 . . . . 0.0 109.861 -179.418 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -62.28 -26.25 68.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.245 -0.91 . . . . 0.0 109.185 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -89.55 -2.26 58.28 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.359 -0.838 . . . . 0.0 109.873 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.4 mm -104.61 141.55 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.166 -0.959 . . . . 0.0 109.532 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.0 m -77.51 155.19 31.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.0 108.822 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -55.61 -43.5 76.13 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.068 -1.02 . . . . 0.0 109.538 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 31.2 m -70.65 -42.79 70.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.923 -1.111 . . . . 0.0 108.88 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.7 t -58.97 -40.24 84.18 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -38.93 87.76 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -57.6 -41.1 80.53 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.48 -0.763 . . . . 0.0 109.386 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 93.5 p -64.18 -46.09 85.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.254 -0.904 . . . . 0.0 109.765 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 147' ' ' LEU . 10.3 mp -69.05 -43.35 74.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.088 -1.007 . . . . 0.0 108.977 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.779 ' HA ' HE21 ' A' ' 148' ' ' GLN . 0.0 OUTLIER -63.4 -35.58 80.88 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.196 -0.94 . . . . 0.0 108.564 179.173 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.58 -42.33 96.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.411 -0.806 . . . . 0.0 109.02 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -60.36 -42.21 95.31 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.736 HD11 ' CD1' ' A' ' 128' ' ' PHE . 92.5 mt -61.88 -38.55 80.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.02 -42.18 79.92 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.636 ' HA ' HD12 ' A' ' 156' ' ' ILE . 70.2 t80 -59.14 -40.44 85.52 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' CYS . . . . . 0.667 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 64.3 m -60.33 -50.55 73.18 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 119.659 -0.816 . . . . 0.0 108.819 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -61.8 -36.86 82.33 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.26 -0.9 . . . . 0.0 109.198 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 153' ' ' TYR . 46.4 mt -58.34 -47.91 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 O-C-N 121.263 -0.898 . . . . 0.0 109.814 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.65 -38.15 90.02 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.446 HD22 HD23 ' A' ' 121' ' ' LEU . 46.8 tp -59.45 -46.55 88.43 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.632 -0.667 . . . . 0.0 109.38 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.1 m -64.16 -35.67 81.55 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.255 -0.903 . . . . 0.0 108.576 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.642 ' HZ2' ' C ' ' A' ' 167' ' ' GLY . 16.6 tttm -60.61 -41.74 95.41 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.915 HD11 HD13 ' A' ' 108' ' ' LEU . 88.8 mt -64.6 -35.54 81.33 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.86 71.61 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.464 -0.772 . . . . 0.0 109.036 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -80.99 -10.65 59.68 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.307 -0.87 . . . . 0.0 109.331 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 90.73 1.54 73.67 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -94.8 139.81 30.77 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.142 -1.211 . . . . 0.0 109.73 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.489 HG21 ' CZ2' ' A' ' 113' ' ' TRP . 4.4 tp -126.54 135.59 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.823 . . . . 0.0 109.523 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' GLY . . . . . 0.642 ' C ' ' HZ2' ' A' ' 160' ' ' LYS . . . . . . . . 0 N--CA 1.491 2.34 0 CA-C-O 117.965 -1.464 . . . . 0.0 109.586 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 177' ' ' VAL . . . . . 0.473 ' H ' HG22 ' B' ' 177' ' ' VAL . 0.2 OUTLIER -67.88 154.15 94.08 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.322 -0.861 . . . . 0.0 109.361 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -57.16 -21.47 43.1 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.684 2.256 . . . . 0.0 112.051 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.25 144.35 35.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.165 -0.96 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 70.2 mt -113.48 135.68 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.482 -0.761 . . . . 0.0 109.552 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -85.51 152.86 22.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.245 -0.91 . . . . 0.0 109.447 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -137.09 156.47 48.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.321 -0.862 . . . . 0.0 109.418 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 183' ' ' LYS . . . . . 0.578 ' NZ ' ' OE1' ' B' ' 192' ' ' GLU . 20.2 mttt -87.14 149.62 24.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.259 -0.901 . . . . 0.0 109.546 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.21 -36.38 70.8 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.297 -0.877 . . . . 0.0 109.95 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 185' ' ' VAL . . . . . 0.507 HG12 ' H ' ' B' ' 187' ' ' VAL . 21.2 t -124.06 132.45 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.38 -0.825 . . . . 0.0 109.805 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -62.55 -31.08 71.81 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.49 -0.757 . . . . 0.0 110.18 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 187' ' ' VAL . . . . . 0.507 ' H ' HG12 ' B' ' 185' ' ' VAL . 55.9 t -50.99 -43.0 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.273 -0.892 . . . . 0.0 110.222 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.15 -35.94 76.42 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.818 -1.176 . . . . 0.0 109.59 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 189' ' ' ASP . . . . . 0.425 ' HA ' ' HZ3' ' B' ' 183' ' ' LYS . 35.1 t0 -59.96 -46.72 88.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.326 -0.858 . . . . 0.0 110.846 -179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -67.28 -39.57 86.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.127 -0.983 . . . . 0.0 110.396 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -56.99 -42.98 81.23 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.658 -1.276 . . . . 0.0 109.364 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 192' ' ' GLU . . . . . 0.656 ' OE2' HG21 ' A' ' 46' ' ' THR . 96.6 mt-10 -65.51 -38.62 90.21 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.149 -0.969 . . . . 0.0 109.08 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.63 -40.34 94.51 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.311 -0.868 . . . . 0.0 109.017 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -60.9 -41.78 96.77 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.36 -0.838 . . . . 0.0 109.363 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 195' ' ' LEU . . . . . 0.457 ' HG ' HD22 ' A' ' 53' ' ' LEU . 8.2 tt -59.38 -41.76 90.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.263 -0.898 . . . . 0.0 109.171 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.56 95.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.329 -0.857 . . . . 0.0 109.216 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.29 -35.53 81.29 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.276 -0.89 . . . . 0.0 109.248 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 198' ' ' ARG . . . . . 0.799 HH11 HD21 ' A' ' 53' ' ' LEU . 67.0 ttt180 -60.75 -43.38 98.02 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.189 -0.945 . . . . 0.0 109.194 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 199' ' ' LEU . . . . . 0.449 HD22 HG21 ' A' ' 32' ' ' VAL . 1.4 tp -63.26 -41.97 99.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.255 -0.903 . . . . 0.0 109.385 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -59.15 -39.01 81.08 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.256 -0.902 . . . . 0.0 109.188 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.8 -35.52 80.25 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.256 -0.903 . . . . 0.0 108.848 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 202' ' ' LEU . . . . . 0.652 HD11 ' HE3' ' A' ' 60' ' ' LYS . 15.7 tp -60.13 -39.88 87.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.465 -0.772 . . . . 0.0 109.192 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -102.12 4.67 39.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.342 -0.849 . . . . 0.0 109.566 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 CA-C-O 117.955 -1.469 . . . . 0.0 109.543 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tpp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.63 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -58.95 -40.08 83.61 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.165 -0.959 . . . . 0.0 109.142 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -63.67 -38.72 92.16 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.245 -0.91 . . . . 0.0 109.191 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -57.46 -41.59 80.86 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.128 -0.983 . . . . 0.0 108.596 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 1.066 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -65.28 -39.86 93.13 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.42 97.1 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.393 -0.817 . . . . 0.0 109.681 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.446 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.52 -42.3 96.16 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.181 -0.95 . . . . 0.0 109.14 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.595 ' CG1' HD13 ' A' ' 27' ' ' LEU . 55.9 t -65.11 -37.99 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.257 -0.902 . . . . 0.0 109.797 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 5' ' ' ALA . 79.0 t -60.64 -39.25 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.138 -0.976 . . . . 0.0 108.789 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.91 91.85 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.36 -0.838 . . . . 0.0 108.943 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.28 -32.93 70.95 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.71 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -59.26 -44.95 92.37 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.191 -0.943 . . . . 0.0 108.698 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.05 -41.81 99.58 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.262 -0.899 . . . . 0.0 108.631 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -60.68 -40.25 91.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.411 -0.806 . . . . 0.0 109.215 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -61.55 -42.51 98.94 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.413 -0.805 . . . . 0.0 109.251 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.403 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 21.8 t70 -58.9 -38.8 79.71 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 0.0 108.823 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -60.0 -30.05 68.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.379 -0.825 . . . . 0.0 109.232 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 18' ' ' VAL . 60.1 t -84.06 -3.51 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.426 -0.796 . . . . 0.0 109.797 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.43 11.82 63.8 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.1 mt -95.57 36.63 1.25 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.412 -1.052 . . . . 0.0 108.947 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.65 -32.78 25.29 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.2 mm -58.69 -48.01 87.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.069 -1.254 . . . . 0.0 109.335 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.5 mm -64.87 -44.19 96.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.211 -0.93 . . . . 0.0 109.105 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.9 -40.55 95.42 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.763 ' CE2' HD11 ' A' ' 29' ' ' LEU . 66.0 t80 -62.59 -48.36 79.79 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.23 -1.159 . . . . 0.0 110.943 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 71.2 t80 -66.32 -47.12 74.56 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.017 -1.052 . . . . 0.0 110.818 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 12' ' ' ALA . 1.7 pp -68.83 -35.65 77.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.021 -1.049 . . . . 0.0 110.095 -179.198 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.478 ' N ' HD12 ' A' ' 27' ' ' LEU . 7.6 tp-100 -60.46 -42.37 96.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.81 -1.181 . . . . 0.0 108.467 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.763 HD11 ' CE2' ' A' ' 25' ' ' TYR . 76.7 mt -59.76 -42.21 92.73 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.622 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 73.3 t80 -63.59 -36.17 82.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.325 -0.86 . . . . 0.0 108.998 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.07 83.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.347 -0.845 . . . . 0.0 109.504 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.566 HG21 HD22 ' B' ' 199' ' ' LEU . 0.6 OUTLIER -66.51 -39.05 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.94 -1.1 . . . . 0.0 108.657 179.432 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.68 -35.5 78.18 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.797 -1.189 . . . . 0.0 108.302 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.066 HD23 ' HB2' ' A' ' 5' ' ' ALA . 22.4 tp -63.43 -41.47 98.68 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.567 -0.708 . . . . 0.0 109.318 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.19 -48.15 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 O-C-N 121.205 -0.934 . . . . 0.0 110.074 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.5 mp -64.35 -36.69 84.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 109.409 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.7 p -74.79 -21.74 59.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.24 -0.913 . . . . 0.0 108.574 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.63 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 82.3 tt0 -73.02 150.81 42.09 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.335 0.588 . . . . 0.0 109.679 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.35 150.22 15.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.252 -0.905 . . . . 0.0 109.69 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -58.49 137.08 57.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.459 -0.776 . . . . 0.0 110.305 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.595 ' HE ' ' CD ' ' A' ' 38' ' ' GLU . 95.2 mtt-85 -121.93 170.37 9.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.701 -0.624 . . . . 0.0 109.48 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.7 t -57.35 170.99 0.45 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.245 -0.909 . . . . 0.0 110.319 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.61 -28.77 61.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.571 -0.706 . . . . 0.0 110.85 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -51.3 -38.9 55.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.83 -1.169 . . . . 0.0 109.149 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.577 ' O ' ' SD ' ' A' ' 45' ' ' MET . 5.3 tmm? -64.44 -37.69 88.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.233 -0.917 . . . . 0.0 108.839 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.1 m -59.39 -40.81 87.74 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.36 -0.838 . . . . 0.0 109.435 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.44 96.46 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.246 -0.909 . . . . 0.0 108.973 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 48' ' ' LEU . 85.1 mt -63.28 -37.32 86.77 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.312 -0.867 . . . . 0.0 109.32 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.02 93.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.274 -0.891 . . . . 0.0 108.864 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.2 m -62.01 -41.06 97.67 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.333 -0.854 . . . . 0.0 109.264 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.59 -42.48 98.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.227 -0.921 . . . . 0.0 109.529 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.4 mt -61.52 -39.34 90.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.948 . . . . 0.0 109.149 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.53 HD12 HD12 ' A' ' 56' ' ' ILE . 37.6 tp -60.11 -40.15 88.69 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.258 -0.901 . . . . 0.0 108.809 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -60.22 -39.9 88.26 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.1 m -60.28 -41.49 93.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.62 -0.675 . . . . 0.0 109.536 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.61 HG21 HD22 ' B' ' 202' ' ' LEU . 80.9 mt -58.24 -51.16 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.164 -0.96 . . . . 0.0 108.848 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.45 -36.14 79.56 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.576 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -63.97 -33.89 76.75 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -59.4 -54.38 47.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.384 -0.822 . . . . 0.0 108.806 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -62.67 -40.17 96.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.252 -0.905 . . . . 0.0 108.939 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -82.15 -0.94 47.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.447 -0.783 . . . . 0.0 109.602 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.9 tt0 -47.65 -33.07 6.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.336 -0.853 . . . . 0.0 110.31 -179.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.978 HD11 ' SD ' ' A' ' 79' ' ' MET . 82.5 mt -67.49 -37.94 79.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.013 -1.054 . . . . 0.0 109.556 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.74 -5.25 12.39 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.416 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 93.67 -6.59 74.1 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.52 -46.5 82.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.138 -1.213 . . . . 0.0 109.596 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.448 ' O ' ' O ' ' A' ' 70' ' ' GLU . 8.3 t -65.43 -31.39 72.46 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.911 . . . . 0.0 108.982 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.16 -28.27 67.78 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.473 -0.767 . . . . 0.0 109.551 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.36 92.68 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.997 -1.064 . . . . 0.0 109.931 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.5 mt-10 -135.83 146.26 47.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.23 -0.919 . . . . 0.0 110.018 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 49.16 40.91 18.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.403 -0.811 . . . . 0.0 109.348 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.7 p -65.01 -36.61 84.97 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.25 -0.906 . . . . 0.0 110.036 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.51 -42.09 95.67 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.147 -0.971 . . . . 0.0 109.816 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -66.85 -47.61 71.43 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.23 -0.919 . . . . 0.0 110.615 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.6 p -66.35 -40.89 90.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.034 -1.041 . . . . 0.0 109.973 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.0 mt -68.35 -39.88 81.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.37 -0.831 . . . . 0.0 110.206 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.421 ' O ' ' OG1' ' A' ' 81' ' ' THR . 32.6 t-80 -61.87 -45.52 93.41 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.188 -0.945 . . . . 0.0 110.504 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.47 -49.57 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.937 -1.102 . . . . 0.0 110.494 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.978 ' SD ' HD11 ' A' ' 63' ' ' ILE . 88.9 mtp -67.92 -46.74 70.69 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.209 -0.932 . . . . 0.0 110.876 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.433 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 20.2 m120 -69.04 -40.44 78.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.865 -1.147 . . . . 0.0 110.971 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.458 HG22 ' HD2' ' A' ' 88' ' ' LYS . 89.5 m -67.17 -49.64 63.98 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.947 -1.095 . . . . 0.0 111.768 -178.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.1 mt -74.56 -33.96 62.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.786 -1.197 . . . . 0.0 111.48 -178.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 91.4 mt -76.38 -38.03 32.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 120.882 -1.136 . . . . 0.0 111.106 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 79.5 m80 -82.28 -37.48 25.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.017 -1.052 . . . . 0.0 111.184 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.538 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 88.1 m-20 -84.96 108.05 17.39 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.845 -1.159 . . . . 0.0 110.077 -179.167 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -62.53 -38.77 91.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.468 -0.77 . . . . 0.0 110.348 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.98 -44.48 95.93 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.066 -1.021 . . . . 0.0 110.183 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.538 ' NZ ' ' OD2' ' A' ' 85' ' ' ASP . 49.5 mttp -62.22 -30.97 71.46 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.145 -0.972 . . . . 0.0 108.651 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.29 -43.83 80.75 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.277 -0.89 . . . . 0.0 110.05 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.8 tttt -64.35 -48.45 75.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.048 -1.033 . . . . 0.0 111.36 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.099 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -64.06 -38.66 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 120.676 -1.265 . . . . 0.0 109.14 -178.596 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 1.099 ' N ' HD13 ' A' ' 91' ' ' ILE . 56.8 t80 -63.27 -44.03 96.26 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.955 -1.09 . . . . 0.0 108.114 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 72.5 mtm -70.45 -40.95 73.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.564 -0.71 . . . . 0.0 109.698 179.35 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.09 -40.89 95.42 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.046 -1.034 . . . . 0.0 108.862 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -62.26 -41.57 98.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.419 -0.801 . . . . 0.0 109.043 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.52 ' CE2' HD22 ' A' ' 100' ' ' LEU . 72.4 t80 -62.67 -46.95 85.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.462 -0.774 . . . . 0.0 109.57 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 34.5 p -62.35 -42.57 99.5 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.154 -0.966 . . . . 0.0 109.598 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.6 ttm -63.23 -43.77 97.11 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.283 -0.886 . . . . 0.0 109.437 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.6 p -75.07 -35.87 61.82 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.245 -0.91 . . . . 0.0 109.742 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.52 HD22 ' CE2' ' A' ' 96' ' ' PHE . 33.7 tp -67.84 -44.99 75.91 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.227 -0.921 . . . . 0.0 109.881 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.664 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 71.2 t80 -68.42 -46.17 70.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.345 -0.847 . . . . 0.0 109.979 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -60.66 -46.29 90.89 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.261 -0.9 . . . . 0.0 109.807 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.26 -45.43 84.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.182 -0.949 . . . . 0.0 108.959 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.42 ' HE3' HD23 ' A' ' 121' ' ' LEU . 6.8 ttpm? -62.61 -37.76 87.54 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.395 -0.815 . . . . 0.0 108.838 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.0 tp -56.27 -47.29 78.88 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.506 -0.747 . . . . 0.0 109.029 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -60.7 -38.15 84.04 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 121.189 -0.944 . . . . 0.0 109.164 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.591 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.7 mm-40 -59.65 -38.9 82.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.379 -0.825 . . . . 0.0 109.273 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 63.2 mt -65.14 -37.67 88.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.93 -1.106 . . . . 0.0 109.062 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -77.25 -53.01 8.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.436 -0.79 . . . . 0.0 110.932 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -95.38 -22.66 17.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.193 -0.942 . . . . 0.0 110.71 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -93.4 155.65 22.32 Favored Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.651 -1.261 . . . . 0.0 109.964 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -66.1 153.68 77.12 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.715 2.276 . . . . 0.0 111.749 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.748 ' CZ2' HG21 ' A' ' 166' ' ' ILE . 13.6 m-90 -94.26 124.58 38.36 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.19 -0.944 . . . . 0.0 109.735 -179.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 86.9 m-20 -134.6 165.67 24.68 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.281 -0.887 . . . . 0.0 109.38 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.8 m -64.02 -31.94 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.242 -0.911 . . . . 0.0 109.253 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.9 mtm -59.34 -38.97 81.71 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.367 -0.833 . . . . 0.0 109.379 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.55 -37.91 89.13 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.264 -0.898 . . . . 0.0 109.164 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.477 ' HA ' HD12 ' A' ' 121' ' ' LEU . 23.8 mttm -60.42 -41.83 94.78 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.235 -0.916 . . . . 0.0 108.913 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -62.19 -40.04 94.72 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.435 -0.79 . . . . 0.0 109.397 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.6 m -63.03 -38.88 92.96 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.369 -0.832 . . . . 0.0 109.591 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 118' ' ' LYS . 16.3 mt -62.85 -41.6 99.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.308 -0.87 . . . . 0.0 109.64 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.805 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 86.6 m95 -63.92 -41.08 97.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.167 -0.958 . . . . 0.0 109.624 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.71 -41.36 92.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.276 -0.89 . . . . 0.0 109.928 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 78.8 m -58.82 -48.09 82.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.101 -0.999 . . . . 0.0 109.635 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.49 -37.24 74.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.177 -0.952 . . . . 0.0 109.097 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.459 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 91.1 m-20 -58.78 -39.4 80.94 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.23 -0.919 . . . . 0.0 108.847 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.45 -41.27 98.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.38 -0.825 . . . . 0.0 109.061 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.43 ' O ' ' CB ' ' A' ' 132' ' ' LEU . 28.5 m-85 -66.25 -42.75 88.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.319 -0.863 . . . . 0.0 110.03 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.2 p -66.81 -39.22 87.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.229 -0.92 . . . . 0.0 110.238 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.622 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 55.9 m -69.03 -50.08 51.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.056 -1.028 . . . . 0.0 109.992 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.452 HG23 ' CE3' ' A' ' 135' ' ' TRP . 73.4 mt -69.72 -46.5 74.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 O-C-N 121.356 -0.84 . . . . 0.0 109.923 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.43 ' CB ' ' O ' ' A' ' 128' ' ' PHE . 28.6 tp -61.07 -41.8 97.31 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.268 -0.895 . . . . 0.0 110.217 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -64.97 -49.75 69.09 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.174 -0.954 . . . . 0.0 111.203 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 36.7 tp -65.52 -46.03 81.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.026 -1.046 . . . . 0.0 110.904 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.452 ' CE3' HG23 ' A' ' 131' ' ' ILE . 4.8 m-90 -87.37 4.62 42.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.155 -0.965 . . . . 0.0 110.897 -178.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -43.15 60.8 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.028 -1.045 . . . . 0.0 109.574 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.95 -20.31 64.2 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.326 -0.859 . . . . 0.0 109.554 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -89.0 -6.42 57.24 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.233 -0.917 . . . . 0.0 110.205 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.9 mt -112.02 147.67 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.376 -0.827 . . . . 0.0 109.664 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.4 m -76.53 155.19 33.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.367 -0.833 . . . . 0.0 109.543 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -56.86 -37.1 70.85 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.402 -0.811 . . . . 0.0 109.979 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 36.3 m -74.17 -45.53 47.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.693 -1.254 . . . . 0.0 109.498 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 36.7 t -64.08 -44.98 90.72 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.165 -0.96 . . . . 0.0 109.788 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.566 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 1.2 t -63.6 -38.93 92.98 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.044 -1.035 . . . . 0.0 108.56 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ASN . . . . . 0.424 ' N ' ' CG2' ' A' ' 144' ' ' THR . 1.6 t30 -55.55 -41.69 73.61 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.257 -0.902 . . . . 0.0 108.66 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.8 m -61.99 -42.28 98.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.411 -0.806 . . . . 0.0 108.896 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 53.4 mt -61.45 -38.86 88.73 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.62 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -61.21 -35.86 78.33 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.134 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.54 -43.65 98.47 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.384 -0.822 . . . . 0.0 109.2 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -60.13 -40.0 88.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.264 -0.897 . . . . 0.0 108.691 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 148' ' ' GLN . 92.2 mt -61.49 -39.57 83.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -58.7 -38.99 79.47 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.307 -0.871 . . . . 0.0 108.821 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -61.1 -42.4 98.44 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' CYS . . . . . 0.664 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 74.4 m -65.95 -50.62 63.71 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.32 -0.862 . . . . 0.0 109.074 179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -63.51 -39.67 95.04 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.281 -0.887 . . . . 0.0 109.167 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 26.9 mt -59.93 -47.94 89.69 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.294 -0.878 . . . . 0.0 109.676 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.528 ' CE2' HD11 ' A' ' 166' ' ' ILE . 2.0 t80 -63.52 -37.78 88.61 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.805 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 27.5 tp -58.79 -40.22 83.39 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.0 t -62.44 -36.34 82.11 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.364 -0.835 . . . . 0.0 108.992 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -60.93 -41.97 97.26 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.379 -0.826 . . . . 0.0 109.084 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 161' ' ' LEU . 4.4 mm? -65.84 -35.25 80.13 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.936 . . . . 0.0 109.339 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.47 85.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.892 . . . . 0.0 109.754 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -81.69 -12.06 58.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.35 -4.52 80.4 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -95.31 142.96 27.1 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.283 -1.128 . . . . 0.0 109.232 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.748 HG21 ' CZ2' ' A' ' 113' ' ' TRP . 10.3 tp -125.25 140.42 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.355 -0.84 . . . . 0.0 109.557 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 177' ' ' VAL . . . . . 0.46 ' H ' HG22 ' B' ' 177' ' ' VAL . 0.2 OUTLIER -67.9 153.64 94.91 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.23 -0.919 . . . . 0.0 109.312 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -59.55 144.83 99.32 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.608 2.206 . . . . 0.0 112.16 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.96 -32.89 73.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.268 -0.895 . . . . 0.0 109.409 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 31.9 pt -118.51 159.85 18.67 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 O-C-N 121.579 -0.701 . . . . 0.0 109.558 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -57.98 -35.82 71.74 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.277 -0.889 . . . . 0.0 109.494 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -65.66 143.73 57.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.197 -0.939 . . . . 0.0 109.393 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -81.15 131.4 35.3 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.171 -0.956 . . . . 0.0 109.526 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -113.17 154.18 27.1 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.498 -0.751 . . . . 0.0 109.418 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 185' ' ' VAL . . . . . 0.762 HG13 ' H ' ' B' ' 188' ' ' ASP . 12.8 p -131.78 144.44 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.386 -0.821 . . . . 0.0 109.583 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -57.22 -35.2 69.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.422 -0.799 . . . . 0.0 110.328 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 187' ' ' VAL . . . . . 0.552 ' H ' HG22 ' B' ' 185' ' ' VAL . 71.1 t -59.62 -43.91 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.081 -1.012 . . . . 0.0 109.942 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 188' ' ' ASP . . . . . 0.762 ' H ' HG13 ' B' ' 185' ' ' VAL . 59.8 t0 -61.94 -35.0 77.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.82 -1.175 . . . . 0.0 109.578 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -59.01 -46.17 88.84 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.316 -0.865 . . . . 0.0 110.701 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.27 -43.65 73.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.19 -0.944 . . . . 0.0 110.568 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -58.2 -42.72 86.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.781 -1.2 . . . . 0.0 109.617 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.49 -37.87 88.08 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.2 -0.937 . . . . 0.0 109.252 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.69 -41.33 97.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.356 -0.84 . . . . 0.0 109.209 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -61.69 -42.47 98.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.232 -0.917 . . . . 0.0 109.426 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 37.6 tp -62.82 -40.87 98.72 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.197 -0.939 . . . . 0.0 109.366 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.9 97.6 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.252 -0.905 . . . . 0.0 109.209 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.08 -35.18 80.33 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.24 -0.913 . . . . 0.0 109.162 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -60.21 -43.75 95.7 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.292 -0.88 . . . . 0.0 109.325 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 199' ' ' LEU . . . . . 0.566 HD22 HG21 ' A' ' 32' ' ' VAL . 3.5 tp -63.81 -43.04 97.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.915 . . . . 0.0 109.345 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -58.52 -37.83 76.47 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.321 -0.862 . . . . 0.0 109.018 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.81 81.48 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 202' ' ' LEU . . . . . 0.61 HD22 HG21 ' A' ' 56' ' ' ILE . 5.8 tp -59.59 -39.72 85.1 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.55 -0.719 . . . . 0.0 109.076 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -87.71 -10.04 52.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.341 -0.849 . . . . 0.0 109.262 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.827 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mtp . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.331 0.586 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.625 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -59.42 -40.84 87.99 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.157 -0.965 . . . . 0.0 109.218 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -63.54 -38.52 91.45 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.165 -0.959 . . . . 0.0 108.99 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -57.34 -39.49 76.0 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.72 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.17 -39.88 94.93 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.32 94.87 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.37 -0.831 . . . . 0.0 109.208 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -60.3 -42.0 94.61 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.602 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -60.53 -38.51 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.26 -0.9 . . . . 0.0 109.336 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.98 -37.97 78.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.25 -0.906 . . . . 0.0 108.775 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.85 97.74 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.402 -0.919 . . . . 0.0 108.64 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 7' ' ' ARG . 4.9 p -72.15 -32.99 67.4 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.409 -0.807 . . . . 0.0 109.032 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.83 86.27 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.379 -0.826 . . . . 0.0 109.119 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -64.39 -46.05 85.0 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.352 -0.842 . . . . 0.0 109.079 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -61.84 -39.15 90.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.257 -0.902 . . . . 0.0 109.245 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.55 -43.47 97.18 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.31 -0.869 . . . . 0.0 109.156 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.49 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 55.5 t0 -60.03 -38.06 81.6 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.263 -0.898 . . . . 0.0 109.053 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -59.25 -30.33 68.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.369 -0.832 . . . . 0.0 109.166 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 18' ' ' VAL . 65.7 t -83.83 -8.84 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.36 -0.837 . . . . 0.0 109.424 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.39 17.02 56.28 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.7 mt -95.75 47.74 1.12 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.367 -1.078 . . . . 0.0 109.243 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.32 -34.23 53.8 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.789 -1.325 . . . . 0.0 109.789 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 22' ' ' ILE . 8.6 mm -60.27 -51.22 75.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.144 -1.209 . . . . 0.0 109.421 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.1 mm -64.55 -42.04 94.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.296 -0.877 . . . . 0.0 109.15 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.558 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -58.98 -39.56 94.35 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.749 ' CE2' HD11 ' A' ' 29' ' ' LEU . 67.3 t80 -63.22 -47.64 81.66 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.161 -1.199 . . . . 0.0 110.394 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.675 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 69.2 t80 -60.28 -46.48 89.69 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.235 -0.916 . . . . 0.0 111.298 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.558 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.7 pp -64.43 -33.24 75.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.557 -1.34 . . . . 0.0 109.745 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.499 ' N ' HD12 ' A' ' 27' ' ' LEU . 92.6 mt-30 -60.0 -39.63 86.41 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.617 -1.302 . . . . 0.0 107.834 178.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.749 HD11 ' CE2' ' A' ' 25' ' ' TYR . 85.6 mt -61.34 -38.04 85.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 178.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -65.85 -37.45 86.23 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.408 -0.807 . . . . 0.0 109.495 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.52 93.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.336 -0.853 . . . . 0.0 110.383 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.414 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -65.24 -42.86 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.836 -1.165 . . . . 0.0 109.237 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.66 -35.35 77.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.907 -1.12 . . . . 0.0 109.009 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.72 HD23 ' HB2' ' A' ' 5' ' ' ALA . 28.9 tp -64.44 -42.45 95.99 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.353 -0.842 . . . . 0.0 109.954 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.408 HD11 ' CD1' ' A' ' 52' ' ' LEU . 92.9 mt -62.4 -48.03 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.119 -0.988 . . . . 0.0 110.115 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -62.67 -36.06 81.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.313 -0.867 . . . . 0.0 109.246 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.3 m -83.91 0.03 49.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.257 -0.902 . . . . 0.0 108.973 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.625 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 84.5 tt0 -89.82 150.01 22.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.481 -0.762 . . . . 0.0 109.909 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.07 151.15 15.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.409 -0.807 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -57.9 130.64 47.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 0.0 109.707 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.412 HH11 ' HB2' ' A' ' 45' ' ' MET . 57.5 ttt-85 -117.41 169.71 9.3 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.7 p -57.77 166.5 1.39 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.124 -0.985 . . . . 0.0 110.417 -178.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.76 -32.03 65.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.668 -0.645 . . . . 0.0 110.652 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.06 -37.11 31.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.832 -1.167 . . . . 0.0 108.346 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.563 ' O ' ' SD ' ' A' ' 45' ' ' MET . 4.8 tmm? -63.28 -38.15 90.03 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.428 -0.795 . . . . 0.0 108.919 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.7 m -59.69 -40.49 88.03 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.494 -0.753 . . . . 0.0 109.146 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.85 97.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.236 -0.915 . . . . 0.0 108.904 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 48' ' ' LEU . 89.1 mt -63.72 -37.45 87.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.868 . . . . 0.0 109.239 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.78 97.36 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.238 -0.914 . . . . 0.0 108.791 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.2 m -60.7 -39.86 90.12 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.308 -0.87 . . . . 0.0 109.085 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.51 -40.94 96.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.352 -0.842 . . . . 0.0 109.455 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' CD1' HD11 ' A' ' 35' ' ' ILE . 81.5 mt -60.75 -42.27 97.07 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.148 -0.97 . . . . 0.0 109.518 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.577 HD12 ' HD3' ' B' ' 198' ' ' ARG . 3.9 mm? -60.76 -40.47 92.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.019 -1.05 . . . . 0.0 108.68 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -61.61 -37.84 85.42 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 59' ' ' PHE . 48.5 m -59.88 -41.29 91.25 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.672 -0.643 . . . . 0.0 109.667 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.58 HG21 HD22 ' B' ' 202' ' ' LEU . 81.6 mt -57.55 -53.98 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.045 -1.035 . . . . 0.0 108.797 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -62.39 -36.95 83.91 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.601 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.99 -32.3 72.61 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 55' ' ' THR . 78.7 t80 -59.43 -54.09 50.67 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.336 -0.853 . . . . 0.0 109.344 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -62.45 -44.0 97.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.957 . . . . 0.0 109.603 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -83.2 -2.23 55.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.32 -0.862 . . . . 0.0 110.345 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.601 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.41 -34.94 17.68 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 110.046 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.72 HD11 ' SD ' ' A' ' 79' ' ' MET . 86.1 mt -68.65 -41.26 82.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.137 -0.977 . . . . 0.0 109.854 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.51 -5.33 81.65 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.99 -0.82 84.52 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -66.73 -46.83 74.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.066 -1.255 . . . . 0.0 108.788 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 t -67.7 -31.41 71.36 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.525 0.679 . . . . 0.0 109.338 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' ALA . 79.0 mm-40 -60.98 -30.04 70.04 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.55 -0.719 . . . . 0.0 109.792 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -40.96 -36.99 0.73 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.232 -0.918 . . . . 0.0 110.375 -179.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -113.07 134.06 54.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.213 -0.929 . . . . 0.0 109.777 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 49.78 48.37 21.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.283 -0.886 . . . . 0.0 109.242 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.5 p -59.74 -36.88 77.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.225 -0.922 . . . . 0.0 110.446 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -62.6 -45.44 92.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.069 -1.019 . . . . 0.0 110.453 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -64.34 -41.49 96.75 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.118 -0.989 . . . . 0.0 110.641 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.5 m -62.52 -45.01 94.94 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.015 -1.053 . . . . 0.0 110.101 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 89.2 mt -67.22 -37.57 83.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.185 -0.947 . . . . 0.0 109.916 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.476 ' O ' ' OG1' ' A' ' 81' ' ' THR . 29.3 m170 -60.1 -45.4 93.07 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.173 -0.954 . . . . 0.0 110.372 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.4 t -69.04 -50.37 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.945 -1.097 . . . . 0.0 110.196 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.72 ' SD ' HD11 ' A' ' 63' ' ' ILE . 70.1 mtm -68.51 -46.51 69.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.121 -0.987 . . . . 0.0 110.473 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.584 ' OD1' ' CE1' ' A' ' 84' ' ' HIS . 36.1 t30 -66.53 -43.48 85.08 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.077 -1.014 . . . . 0.0 110.899 -178.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.63 HG22 ' HD2' ' A' ' 88' ' ' LYS . 39.1 m -68.57 -49.05 62.41 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.126 -0.984 . . . . 0.0 111.797 -178.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.8 mt -72.12 -34.14 68.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.795 -1.191 . . . . 0.0 111.279 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 86.8 mt -79.13 -34.57 16.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.02 -1.05 . . . . 0.0 111.188 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.584 ' CE1' ' OD1' ' A' ' 80' ' ' ASN . 78.6 m80 -92.34 -26.65 17.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 0.0 111.269 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.568 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 54.2 t0 -87.84 105.94 17.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.676 -1.265 . . . . 0.0 109.994 -179.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.635 ' OE1' HD21 ' A' ' 134' ' ' LEU . 14.5 tt0 -62.33 -37.31 85.15 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.385 -0.822 . . . . 0.0 110.446 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.97 -45.35 92.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 0.0 109.829 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.63 ' HD2' HG22 ' A' ' 81' ' ' THR . 33.2 mttp -64.89 -34.53 78.6 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.261 -0.899 . . . . 0.0 109.043 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.29 -42.06 72.55 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.132 -0.98 . . . . 0.0 109.312 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -48.4 81.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.126 -0.984 . . . . 0.0 109.768 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.774 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -72.77 -43.05 61.46 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.326 -0.859 . . . . 0.0 109.324 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.774 ' N ' HD12 ' A' ' 91' ' ' ILE . 58.7 t80 -63.41 -48.69 76.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.197 -0.939 . . . . 0.0 109.059 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.675 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 65.0 mtm -65.72 -37.64 86.98 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 0.0 109.686 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.0 tp -61.21 -41.27 96.55 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.08 -1.012 . . . . 0.0 108.952 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -61.9 -42.54 99.19 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.31 -0.869 . . . . 0.0 109.387 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -64.45 -49.0 73.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 0.0 109.763 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.786 HG22 HD23 ' A' ' 127' ' ' LEU . 35.4 p -62.69 -43.52 98.59 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.132 -0.98 . . . . 0.0 109.924 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 94.0 mmm -65.27 -42.07 93.56 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.137 -0.977 . . . . 0.0 109.407 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.8 p -72.58 -36.38 68.16 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.262 -0.899 . . . . 0.0 109.514 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.517 HD21 ' HE3' ' A' ' 104' ' ' LYS . 30.6 tp -66.51 -42.09 87.88 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.285 -0.884 . . . . 0.0 109.667 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.665 ' CZ ' ' SG ' ' A' ' 154' ' ' CYS . 75.8 t80 -64.66 -43.93 92.03 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.396 -0.815 . . . . 0.0 109.975 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -58.95 -46.18 88.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.234 -0.916 . . . . 0.0 109.951 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.17 -45.98 82.68 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.162 -0.961 . . . . 0.0 109.488 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.517 ' HE3' HD21 ' A' ' 100' ' ' LEU . 25.3 mttm -65.02 -36.14 83.44 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.316 -0.865 . . . . 0.0 109.174 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.4 tp -55.42 -48.59 74.18 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.307 -0.871 . . . . 0.0 108.886 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -60.85 -38.04 84.17 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.256 -0.902 . . . . 0.0 108.958 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.59 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.0 mt-30 -60.68 -39.37 88.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.375 -0.828 . . . . 0.0 109.503 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.457 HD22 ' CZ2' ' A' ' 113' ' ' TRP . 52.0 mt -64.81 -37.81 88.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.921 -1.112 . . . . 0.0 109.267 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -77.96 -53.73 7.11 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.308 -0.87 . . . . 0.0 110.808 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -99.0 -22.97 15.47 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.27 -0.894 . . . . 0.0 110.894 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -90.26 148.99 19.98 Favored Glycine 0 N--CA 1.492 2.415 0 C-N-CA 119.52 -1.324 . . . . 0.0 110.166 -178.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -72.34 154.35 56.13 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.653 2.235 . . . . 0.0 112.147 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.528 ' CZ3' HD11 ' A' ' 161' ' ' LEU . 57.5 m95 -86.61 123.73 32.12 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.205 -0.935 . . . . 0.0 109.377 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -131.49 163.04 28.85 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.345 -0.847 . . . . 0.0 109.012 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.449 ' H ' HG13 ' A' ' 115' ' ' VAL . 2.4 m -62.15 -32.75 55.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.183 -0.948 . . . . 0.0 109.112 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.408 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.6 mtm -60.52 -43.4 97.15 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.442 -0.786 . . . . 0.0 109.712 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 72.4 mt -67.69 -37.54 82.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.355 -0.841 . . . . 0.0 109.581 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.411 ' O ' ' CE3' ' A' ' 122' ' ' TRP . 58.2 mttp -60.11 -42.77 95.43 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.262 -0.899 . . . . 0.0 110.037 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -67.4 -45.73 75.32 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.882 -1.136 . . . . 0.0 110.155 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.417 ' N ' HH22 ' A' ' 7' ' ' ARG . 84.1 p -71.99 -42.1 66.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.185 -0.947 . . . . 0.0 110.243 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.16 -39.06 89.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.118 -0.989 . . . . 0.0 109.439 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.857 ' CZ2' HD11 ' A' ' 158' ' ' LEU . 0.9 OUTLIER -59.73 -44.89 93.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.022 -1.049 . . . . 0.0 108.325 179.334 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 78.7 m -65.28 -33.66 76.51 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.407 -0.808 . . . . 0.0 109.282 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 120' ' ' SER . 74.4 m -57.92 -50.17 74.25 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.289 -0.882 . . . . 0.0 109.69 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 72.7 mt -62.02 -44.13 98.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 O-C-N 121.117 -0.989 . . . . 0.0 109.354 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.497 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 89.3 m-20 -63.97 -39.56 94.4 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.305 -0.872 . . . . 0.0 109.896 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.786 HD23 HG22 ' A' ' 97' ' ' THR . 39.5 tp -62.61 -45.56 92.29 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 109.834 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.579 ' HE1' HD11 ' A' ' 132' ' ' LEU . 25.6 t80 -66.6 -42.83 86.28 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.306 -0.871 . . . . 0.0 109.47 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.1 p -63.75 -34.12 77.18 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.886 . . . . 0.0 109.559 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 126' ' ' ASP . 73.1 m -65.11 -43.94 90.39 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.232 -0.918 . . . . 0.0 109.027 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 95.7 mt -58.52 -44.15 88.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 O-C-N 121.373 -0.829 . . . . 0.0 109.664 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.591 ' O ' ' N ' ' A' ' 136' ' ' LYS . 53.2 mt -62.79 -39.07 93.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.261 -0.899 . . . . 0.0 109.729 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -57.82 -49.34 76.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.314 -0.866 . . . . 0.0 110.411 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.635 HD21 ' OE1' ' A' ' 86' ' ' GLN . 41.1 tp -64.3 -45.74 86.63 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.99 -1.069 . . . . 0.0 110.025 -179.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -87.98 -0.65 57.28 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.223 -0.923 . . . . 0.0 110.958 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.591 ' N ' ' O ' ' A' ' 132' ' ' LEU . 2.4 tmtt? -49.24 -39.0 28.63 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.857 -1.152 . . . . 0.0 109.875 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.06 -26.26 67.41 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.158 -0.963 . . . . 0.0 109.785 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -89.01 -5.97 57.54 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.2 -0.937 . . . . 0.0 110.569 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.0 mm -104.67 143.29 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.063 -1.023 . . . . 0.0 109.295 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 30.7 t -78.14 154.3 31.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.292 -0.88 . . . . 0.0 109.192 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.53 -39.38 64.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.802 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.0 m -72.26 -45.34 60.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.856 -1.153 . . . . 0.0 109.466 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 44.3 t -64.06 -44.75 91.46 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.206 -0.934 . . . . 0.0 109.701 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.408 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.6 OUTLIER -63.67 -38.8 92.49 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.047 -1.033 . . . . 0.0 108.498 179.46 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -56.24 -43.33 78.57 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.338 -0.851 . . . . 0.0 109.133 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.0 m -61.21 -44.64 96.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.256 -0.902 . . . . 0.0 109.292 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 46.1 mt -61.63 -38.83 89.13 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.618 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -61.9 -35.62 78.89 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.154 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -61.35 -42.1 98.13 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.263 -0.898 . . . . 0.0 108.874 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -58.4 -42.65 87.61 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 33.0 mm -64.23 -37.95 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 156' ' ' ILE . 30.0 tttt -57.49 -39.21 75.93 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -61.51 -46.96 87.78 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' CYS . . . . . 0.665 ' SG ' ' CZ ' ' A' ' 101' ' ' TYR . 38.1 m -67.14 -49.91 63.13 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -61.8 -32.06 72.32 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 152' ' ' LYS . 1.8 mt -58.25 -37.93 65.7 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -39.47 93.34 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 178.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.857 HD11 ' CZ2' ' A' ' 122' ' ' TRP . 1.8 mm? -59.04 -39.03 80.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.369 -0.832 . . . . 0.0 108.887 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.0 t -61.45 -43.46 98.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.401 -0.812 . . . . 0.0 109.886 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' LYS . . . . . 0.742 ' HZ1' ' H ' ' A' ' 167' ' ' GLY . 8.1 mtmp? -61.69 -39.12 90.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.064 -1.022 . . . . 0.0 109.494 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.528 HD11 ' CZ3' ' A' ' 113' ' ' TRP . 56.6 mt -61.64 -37.35 83.69 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.033 -1.042 . . . . 0.0 108.791 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.5 80.95 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.399 -0.813 . . . . 0.0 109.051 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -81.42 -12.81 58.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.277 -0.889 . . . . 0.0 109.167 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.33 0.4 70.46 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.73 142.23 27.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.079 -1.248 . . . . 0.0 109.704 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.404 ' CD1' ' CD2' ' A' ' 161' ' ' LEU . 36.3 mm -116.42 137.09 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.427 -0.796 . . . . 0.0 109.495 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' GLY . . . . . 0.742 ' H ' ' HZ1' ' A' ' 160' ' ' LYS . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 177' ' ' VAL . . . . . 0.416 HG22 ' H ' ' B' ' 177' ' ' VAL . 0.2 OUTLIER -67.9 153.9 94.49 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 0.0 109.377 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -58.27 143.49 97.15 Favored 'Trans proline' 0 C--N 1.308 -1.584 0 C-N-CA 122.625 2.216 . . . . 0.0 112.099 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.72 -34.57 71.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.252 -0.905 . . . . 0.0 109.53 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 180' ' ' ILE . . . . . 0.478 HG12 ' H ' ' B' ' 182' ' ' ALA . 14.6 tt -123.03 136.33 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.493 -0.754 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 181' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' B' ' 183' ' ' LYS . 61.7 mttm -58.28 -35.87 72.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.169 -0.957 . . . . 0.0 109.512 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 182' ' ' ALA . . . . . 0.478 ' H ' HG12 ' B' ' 180' ' ' ILE . . . 62.12 -79.45 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.344 -0.847 . . . . 0.0 109.533 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 183' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' B' ' 181' ' ' LYS . 75.6 tttt -67.01 136.06 54.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.196 -0.94 . . . . 0.0 109.589 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -107.52 161.33 14.94 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.422 -0.799 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 185' ' ' VAL . . . . . 0.545 HG12 ' H ' ' B' ' 187' ' ' VAL . 39.3 t -104.13 136.75 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.257 -0.902 . . . . 0.0 109.589 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -55.25 -34.24 63.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.376 -0.827 . . . . 0.0 109.937 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 187' ' ' VAL . . . . . 0.545 ' H ' HG12 ' B' ' 185' ' ' VAL . 78.8 t -58.61 -43.46 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.147 -0.971 . . . . 0.0 109.724 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -60.97 -35.5 76.95 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.935 -1.103 . . . . 0.0 109.682 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -60.04 -45.89 91.35 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.323 -0.86 . . . . 0.0 110.849 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 190' ' ' GLU . . . . . 0.417 ' H ' ' HG2' ' B' ' 190' ' ' GLU . 12.3 pt-20 -68.96 -43.04 75.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.165 -0.96 . . . . 0.0 110.634 -178.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -57.82 -43.89 86.06 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.731 -1.23 . . . . 0.0 109.501 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.85 -37.96 89.34 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.135 -0.978 . . . . 0.0 109.017 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -62.29 -39.05 91.69 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.326 -0.859 . . . . 0.0 109.138 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -60.8 -47.14 87.71 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.32 -0.862 . . . . 0.0 109.503 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 195' ' ' LEU . . . . . 0.445 ' N ' HD12 ' B' ' 195' ' ' LEU . 6.5 mp -67.14 -40.52 86.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.116 -0.99 . . . . 0.0 109.321 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -66.6 -44.62 81.63 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.27 -0.894 . . . . 0.0 109.48 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -65.3 -35.58 81.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.287 -0.883 . . . . 0.0 109.44 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 198' ' ' ARG . . . . . 0.577 ' HD3' HD12 ' A' ' 53' ' ' LEU . 77.6 ttt180 -61.51 -42.79 99.33 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.259 -0.901 . . . . 0.0 109.382 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 199' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 32' ' ' VAL . 8.3 tp -63.97 -42.76 97.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.277 -0.89 . . . . 0.0 109.467 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -60.51 -39.64 88.51 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.241 -0.912 . . . . 0.0 109.315 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.33 -36.26 82.46 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.123 -0.985 . . . . 0.0 108.639 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 202' ' ' LEU . . . . . 0.58 HD22 HG21 ' A' ' 56' ' ' ILE . 14.9 tp -60.7 -38.21 84.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.549 -0.719 . . . . 0.0 109.191 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -87.61 -10.96 49.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.271 -0.893 . . . . 0.0 109.414 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.353 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.301 0.572 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.16 -40.01 84.28 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.144 -0.972 . . . . 0.0 109.116 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -64.48 -34.67 78.75 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.146 -0.971 . . . . 0.0 108.862 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -58.89 -42.38 89.37 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.521 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.48 -39.77 95.32 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.1 93.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.331 -0.855 . . . . 0.0 109.182 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.436 ' CG ' HH11 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.02 -41.5 92.3 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.171 -0.956 . . . . 0.0 108.516 179.386 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.95 -37.4 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.372 -0.83 . . . . 0.0 109.08 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.57 -38.01 76.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.79 -42.51 97.72 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 11' ' ' THR . 7.7 p -69.21 -35.24 76.0 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.017 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -55.9 -46.06 78.49 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -63.61 -39.19 93.74 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.323 -0.861 . . . . 0.0 108.826 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -60.04 -43.0 95.62 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.37 -0.831 . . . . 0.0 109.744 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -61.87 -41.13 97.48 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.085 -1.009 . . . . 0.0 109.441 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 21.1 t70 -58.78 -39.15 80.21 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.157 -0.965 . . . . 0.0 108.919 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -60.88 -33.15 72.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.392 -0.818 . . . . 0.0 109.388 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -84.41 -8.49 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.319 -0.863 . . . . 0.0 109.519 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.408 ' C ' HD22 ' A' ' 20' ' ' LEU . . . 89.48 9.52 66.7 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 2.7 mm? -95.64 50.79 1.24 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.326 -1.103 . . . . 0.0 108.655 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.29 -32.76 64.15 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.561 ' CD1' ' N ' ' A' ' 22' ' ' ILE . 1.2 mp -57.88 -48.48 83.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 120.992 -1.299 . . . . 0.0 109.555 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.1 mm -61.9 -42.5 94.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.221 -0.924 . . . . 0.0 108.642 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.563 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -60.76 -38.46 95.25 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.804 ' CE2' HD11 ' A' ' 29' ' ' LEU . 72.4 t80 -63.27 -47.45 82.3 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.082 -1.246 . . . . 0.0 110.764 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.667 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 78.0 t80 -61.26 -45.72 93.34 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.203 -0.936 . . . . 0.0 111.311 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.563 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.8 pp -65.04 -33.67 76.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.601 -1.312 . . . . 0.0 109.73 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.493 ' N ' HD12 ' A' ' 27' ' ' LEU . 93.1 mt-30 -60.22 -40.1 88.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.598 -1.314 . . . . 0.0 107.78 178.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.804 HD11 ' CE2' ' A' ' 25' ' ' TYR . 92.7 mt -61.25 -37.14 82.03 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.589 ' CZ ' ' OD2' ' A' ' 126' ' ' ASP . 85.8 t80 -66.6 -35.85 81.18 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.462 -0.773 . . . . 0.0 109.168 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.9 -45.78 93.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.319 -0.863 . . . . 0.0 110.113 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.472 HG21 HD22 ' B' ' 199' ' ' LEU . 2.0 p -65.44 -42.0 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.907 -1.121 . . . . 0.0 108.823 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.68 -35.38 77.81 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.929 -1.107 . . . . 0.0 108.78 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' A' ' 5' ' ' ALA . 21.7 tp -63.05 -42.77 99.81 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.456 -0.778 . . . . 0.0 109.694 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.5 mt -62.73 -48.2 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 121.211 -0.931 . . . . 0.0 109.905 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.504 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -65.38 -34.93 79.48 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.357 -0.839 . . . . 0.0 109.367 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.0 m -82.42 -0.15 44.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.203 -0.936 . . . . 0.0 109.114 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -90.83 150.08 21.7 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.374 -0.829 . . . . 0.0 109.622 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.91 150.18 17.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.152 -0.967 . . . . 0.0 109.271 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -58.54 133.31 55.72 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.275 -0.89 . . . . 0.0 109.987 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -122.87 170.13 10.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.714 -0.616 . . . . 0.0 109.467 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p -58.32 171.26 0.59 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.28 -0.888 . . . . 0.0 109.556 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -56.29 -27.84 56.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.389 -0.819 . . . . 0.0 110.512 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.56 -40.52 52.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.793 -1.192 . . . . 0.0 109.372 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 56.0 ttp -63.97 -36.88 85.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.019 -1.051 . . . . 0.0 109.222 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.7 p -63.21 -36.43 83.61 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 121.204 -0.935 . . . . 0.0 109.104 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.2 96.36 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.278 -0.889 . . . . 0.0 108.665 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.01 -36.35 83.28 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.364 -0.835 . . . . 0.0 109.065 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.88 98.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.267 -0.895 . . . . 0.0 109.053 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.2 m -61.21 -42.9 99.4 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.225 -0.922 . . . . 0.0 109.125 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.63 -41.2 98.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.276 -0.89 . . . . 0.0 109.059 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.45 -40.55 91.56 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.286 -0.884 . . . . 0.0 109.106 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.77 HD22 HD11 ' B' ' 195' ' ' LEU . 40.1 tp -60.01 -40.62 89.91 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.234 -0.916 . . . . 0.0 108.912 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -59.88 -40.25 88.05 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.9 m -60.49 -40.77 92.52 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.675 -0.64 . . . . 0.0 109.599 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.617 HD12 HD12 ' A' ' 53' ' ' LEU . 83.6 mt -57.19 -53.11 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.182 -0.949 . . . . 0.0 109.05 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.587 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 97.0 mt-10 -63.47 -36.59 84.26 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.48 -33.59 76.04 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' THR . 75.9 t80 -59.65 -54.49 45.76 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.262 -0.899 . . . . 0.0 109.452 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -61.08 -43.88 98.22 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.129 -0.982 . . . . 0.0 109.564 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -83.0 -3.21 56.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.261 -0.9 . . . . 0.0 110.386 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.6 tt0 -50.4 -34.26 23.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.084 -1.01 . . . . 0.0 109.96 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.403 ' C ' ' H ' ' A' ' 65' ' ' GLY . 85.9 mt -68.32 -37.02 77.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.187 -0.945 . . . . 0.0 109.604 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.68 -5.39 11.71 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.403 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 91.23 -4.59 80.85 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.09 -46.6 83.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.057 -1.261 . . . . 0.0 109.658 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.6 m -64.97 -35.04 79.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.278 -0.889 . . . . 0.0 109.014 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.673 ' OE2' HD21 ' A' ' 76' ' ' LEU . 96.9 mt-10 -63.27 -28.83 70.29 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.553 -0.717 . . . . 0.0 109.723 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -39.55 -37.48 0.49 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.338 -0.851 . . . . 0.0 110.031 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -112.39 133.86 54.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.361 -0.837 . . . . 0.0 109.248 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 51.08 47.88 24.07 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.176 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.9 p -58.65 -36.79 74.68 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.176 -0.953 . . . . 0.0 110.112 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -61.04 -44.62 97.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.109 -0.995 . . . . 0.0 109.922 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -67.98 -45.24 74.7 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.35 -0.844 . . . . 0.0 110.534 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.1 m -61.12 -43.99 98.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.07 -1.019 . . . . 0.0 110.147 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.673 HD21 ' OE2' ' A' ' 68' ' ' GLU . 96.7 mt -68.02 -39.35 83.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.266 -0.896 . . . . 0.0 110.111 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.5 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 75.9 t60 -62.76 -45.63 91.81 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.285 -0.884 . . . . 0.0 110.241 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.0 t -69.51 -48.74 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.086 -1.009 . . . . 0.0 110.573 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 96.8 mmm -66.91 -45.66 77.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.225 -0.922 . . . . 0.0 111.031 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.63 ' OD1' ' N ' ' A' ' 81' ' ' THR . 29.7 p-10 -70.54 -41.69 72.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.799 -1.188 . . . . 0.0 111.139 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.63 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 63.2 m -63.21 -47.33 83.01 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.92 -1.113 . . . . 0.0 111.385 -178.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.9 mt -73.6 -34.04 64.88 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.976 -1.077 . . . . 0.0 111.043 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.5 mt -79.66 -42.43 22.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 120.977 -1.077 . . . . 0.0 110.992 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.485 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 76.1 m80 -72.87 -47.88 42.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.022 -1.049 . . . . 0.0 111.087 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.439 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 64.5 t0 -83.93 110.38 18.36 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.904 -1.123 . . . . 0.0 110.222 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -61.94 -36.73 82.27 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.495 -0.753 . . . . 0.0 110.299 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.93 -41.77 88.12 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.162 -0.961 . . . . 0.0 109.887 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.608 ' O ' HD13 ' A' ' 91' ' ' ILE . 30.2 mmtm -61.52 -36.62 81.06 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.85 69.95 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.318 -0.864 . . . . 0.0 109.588 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -58.16 -48.89 78.89 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.233 -0.917 . . . . 0.0 110.887 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.912 HD13 ' H ' ' A' ' 92' ' ' TYR . 0.1 OUTLIER -78.29 -37.5 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.723 -1.235 . . . . 0.0 108.916 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.912 ' H ' HD13 ' A' ' 91' ' ' ILE . 64.6 t80 -60.8 -46.94 88.54 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.667 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 71.7 mtm -66.75 -38.51 86.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.3 -0.875 . . . . 0.0 109.23 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 tp -61.96 -41.01 97.51 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.183 -0.948 . . . . 0.0 109.218 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -64.24 -44.61 91.3 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.502 -0.749 . . . . 0.0 109.986 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.516 ' HE2' HD22 ' A' ' 100' ' ' LEU . 56.0 t80 -64.51 -44.25 91.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.283 -0.885 . . . . 0.0 109.946 -179.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.76 HG22 HD23 ' A' ' 127' ' ' LEU . 32.9 p -61.99 -41.42 98.01 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.105 -0.997 . . . . 0.0 109.561 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.3 ttm -64.6 -46.08 84.19 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.231 -0.918 . . . . 0.0 109.258 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.1 p -72.6 -37.27 68.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.326 -0.859 . . . . 0.0 109.717 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.516 HD22 ' HE2' ' A' ' 96' ' ' PHE . 20.8 tp -66.57 -40.84 89.18 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.316 -0.865 . . . . 0.0 109.395 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.715 ' CE2' HD11 ' A' ' 105' ' ' LEU . 86.8 t80 -63.71 -44.81 92.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.465 -0.772 . . . . 0.0 109.871 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -58.91 -41.58 87.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 109.562 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -61.34 -40.53 94.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.3 -0.875 . . . . 0.0 109.486 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.552 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 83.9 mttt -62.48 -40.91 98.19 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.242 -0.911 . . . . 0.0 109.752 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.715 HD11 ' CE2' ' A' ' 101' ' ' TYR . 83.1 mt -58.29 -44.2 88.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.077 -1.014 . . . . 0.0 109.176 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -60.68 -39.01 86.83 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.208 -0.932 . . . . 0.0 109.31 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' A' ' 111' ' ' GLY . 94.7 mt-30 -63.08 -39.18 93.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.364 -0.835 . . . . 0.0 109.764 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.647 HD13 ' CE2' ' A' ' 157' ' ' TYR . 80.2 mt -64.13 -37.5 87.68 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.008 -1.057 . . . . 0.0 109.692 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -77.48 -53.69 7.33 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.2 -0.937 . . . . 0.0 110.817 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -98.74 -22.87 15.66 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.215 -0.928 . . . . 0.0 110.882 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -87.91 154.61 25.79 Favored Glycine 0 N--CA 1.493 2.495 0 C-N-CA 119.485 -1.341 . . . . 0.0 110.224 -178.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.09 154.31 70.61 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.853 2.369 . . . . 0.0 111.903 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.443 ' CZ2' ' O ' ' A' ' 108' ' ' LEU . 19.5 m-90 -96.55 120.75 37.44 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.219 -0.925 . . . . 0.0 109.746 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 39.5 t0 -135.78 165.57 25.3 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.144 -0.972 . . . . 0.0 109.315 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.488 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 4.2 m -62.92 -32.07 54.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.317 -0.865 . . . . 0.0 109.689 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.403 ' N ' HG23 ' A' ' 115' ' ' VAL . 68.6 mtm -59.15 -39.63 83.05 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.33 -0.856 . . . . 0.0 109.436 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.54 -37.96 89.32 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.19 -0.944 . . . . 0.0 109.084 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.638 ' HE2' HD23 ' A' ' 161' ' ' LEU . 73.3 mttt -58.85 -42.99 90.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.293 -0.879 . . . . 0.0 108.869 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -61.53 -39.32 90.62 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.426 -0.796 . . . . 0.0 109.097 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.552 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 21.5 t -62.11 -39.81 93.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.318 -0.864 . . . . 0.0 109.598 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.85 -41.61 98.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.252 -0.905 . . . . 0.0 109.502 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.48 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 77.3 m95 -61.13 -42.42 98.5 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.063 -1.023 . . . . 0.0 109.503 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' CYS . . . . . 0.542 ' SG ' ' N ' ' A' ' 124' ' ' CYS . 0.1 OUTLIER -69.41 -41.79 75.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.175 -0.953 . . . . 0.0 109.669 179.757 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.542 ' N ' ' SG ' ' A' ' 123' ' ' CYS . 0.0 OUTLIER -62.61 -50.07 72.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.263 -0.898 . . . . 0.0 110.067 -179.625 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.659 HG23 HG23 ' A' ' 151' ' ' ILE . 92.8 mt -60.24 -43.53 93.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.16 -0.962 . . . . 0.0 109.627 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASP . . . . . 0.589 ' OD2' ' CZ ' ' A' ' 30' ' ' TYR . 55.0 t0 -62.47 -41.65 98.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.282 -0.886 . . . . 0.0 109.98 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.76 HD23 HG22 ' A' ' 97' ' ' THR . 43.1 tp -63.39 -42.71 98.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -0.892 . . . . 0.0 109.973 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.7 ' CE2' HD11 ' A' ' 132' ' ' LEU . 34.4 t80 -67.13 -43.95 81.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.311 -0.868 . . . . 0.0 109.347 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -68.46 -36.76 79.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.351 -0.843 . . . . 0.0 109.87 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' A' ' 126' ' ' ASP . 93.4 m -60.19 -49.14 78.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -0.874 . . . . 0.0 109.894 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.53 -50.17 81.41 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.071 -1.018 . . . . 0.0 109.741 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.7 HD11 ' CE2' ' A' ' 128' ' ' PHE . 67.3 mt -66.56 -36.64 83.15 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.903 . . . . 0.0 110.116 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -59.61 -49.77 76.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.068 -1.02 . . . . 0.0 109.838 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 36.2 tp -67.01 -42.86 84.26 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.091 -1.006 . . . . 0.0 109.435 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -86.89 4.08 42.86 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.498 -0.752 . . . . 0.0 109.914 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -53.08 -37.9 62.06 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.298 -0.876 . . . . 0.0 109.855 -179.584 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.94 -24.05 67.68 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.137 -0.977 . . . . 0.0 109.471 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -89.41 -6.61 56.42 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.318 -0.864 . . . . 0.0 109.999 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.9 mt -111.71 148.0 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.369 -0.832 . . . . 0.0 109.553 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 31.5 t -76.74 154.37 34.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.266 -0.896 . . . . 0.0 109.451 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -57.61 -39.36 76.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.316 -0.865 . . . . 0.0 110.037 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 53.2 m -70.32 -45.15 66.8 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.673 -1.267 . . . . 0.0 109.409 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 31.8 m -63.62 -44.94 92.44 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.198 -0.939 . . . . 0.0 109.413 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.582 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.6 OUTLIER -65.44 -39.06 91.6 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.201 -0.937 . . . . 0.0 108.607 179.429 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ASN . . . . . 0.4 ' N ' ' CG2' ' A' ' 144' ' ' THR . 36.5 t-20 -55.12 -41.58 71.89 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.318 -0.864 . . . . 0.0 108.881 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.3 m -63.67 -43.24 97.28 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.369 -0.832 . . . . 0.0 109.304 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.22 -44.0 97.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.261 -0.899 . . . . 0.0 108.883 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.594 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -62.49 -34.17 76.32 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.02 -41.6 92.56 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.412 -0.805 . . . . 0.0 108.958 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.2 -41.05 97.99 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.659 HG23 HG23 ' A' ' 125' ' ' ILE . 83.9 mt -61.41 -38.27 79.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -58.22 -40.85 82.74 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.527 ' HA ' HD12 ' A' ' 156' ' ' ILE . 75.4 t80 -58.51 -43.52 89.17 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' CYS . . . . . 0.66 ' SG ' ' CZ ' ' A' ' 101' ' ' TYR . 23.6 m -63.66 -50.38 69.49 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -61.65 -34.47 75.77 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.498 -0.751 . . . . 0.0 109.193 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 153' ' ' TYR . 13.3 mt -57.74 -47.93 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.308 -0.87 . . . . 0.0 109.804 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.647 ' CE2' HD13 ' A' ' 108' ' ' LEU . 82.5 t80 -62.99 -40.69 98.51 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.191 -1.041 . . . . 0.0 108.191 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.48 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 32.7 tp -59.6 -41.3 90.03 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.553 -0.717 . . . . 0.0 109.218 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.2 m -62.57 -38.05 88.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -0.862 . . . . 0.0 109.365 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -61.22 -40.34 93.64 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.19 -0.944 . . . . 0.0 109.074 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.638 HD23 ' HE2' ' A' ' 118' ' ' LYS . 10.7 mp -65.42 -35.51 81.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.285 -0.885 . . . . 0.0 109.115 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.85 -36.96 82.75 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.295 -0.878 . . . . 0.0 109.071 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -81.44 -12.65 58.84 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.247 -0.908 . . . . 0.0 109.056 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.23 -2.59 71.57 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -94.74 141.5 28.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.195 -1.179 . . . . 0.0 109.738 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 39.7 mm -117.45 135.57 57.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.562 -0.711 . . . . 0.0 109.425 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 CA-C-O 117.999 -1.445 . . . . 0.0 109.528 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.295 0.569 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 177' ' ' VAL . . . . . 0.438 ' H ' HG22 ' B' ' 177' ' ' VAL . 0.6 OUTLIER -68.0 154.27 94.04 Favored Pre-proline 0 N--CA 1.488 1.469 0 O-C-N 121.198 -0.939 . . . . 0.0 109.354 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -45.06 144.69 3.68 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 122.359 2.04 . . . . 0.0 112.059 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -107.07 147.49 29.92 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.372 -0.83 . . . . 0.0 109.408 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 180' ' ' ILE . . . . . 0.458 HD12 HD22 ' B' ' 186' ' ' ASN . 15.2 tt -124.69 136.4 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.429 -0.794 . . . . 0.0 109.606 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -89.64 148.24 23.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.306 -0.871 . . . . 0.0 109.223 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -60.2 -33.92 72.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.214 -0.929 . . . . 0.0 109.451 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 24.1 tttm -58.86 -36.64 74.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.208 -0.933 . . . . 0.0 109.557 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -94.69 136.6 34.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.912 . . . . 0.0 109.473 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 39.6 t -124.75 137.96 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.451 -0.781 . . . . 0.0 109.666 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 186' ' ' ASN . . . . . 0.458 HD22 HD12 ' B' ' 180' ' ' ILE . 10.1 m120 -74.94 158.83 32.65 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.207 -0.933 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 187' ' ' VAL . . . . . 0.437 ' CG1' ' NZ ' ' B' ' 191' ' ' LYS . 70.9 t -64.68 -45.49 95.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.283 -0.886 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -61.55 -36.09 79.62 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.964 -1.085 . . . . 0.0 109.555 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -60.17 -46.03 91.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.388 -0.82 . . . . 0.0 110.864 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.61 -41.49 83.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.055 -1.028 . . . . 0.0 110.448 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 191' ' ' LYS . . . . . 0.437 ' NZ ' ' CG1' ' B' ' 187' ' ' VAL . 9.6 mttp -57.28 -41.3 79.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.654 -1.279 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.32 -39.12 92.04 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.172 -0.955 . . . . 0.0 109.025 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.43 -40.11 95.51 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.341 -0.849 . . . . 0.0 109.101 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -60.67 -42.72 97.64 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.343 -0.848 . . . . 0.0 109.292 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 195' ' ' LEU . . . . . 0.77 HD11 HD22 ' A' ' 53' ' ' LEU . 39.9 tp -60.35 -40.07 89.39 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.245 -0.909 . . . . 0.0 109.231 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.65 -40.21 96.31 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.872 . . . . 0.0 109.103 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -64.96 -34.99 79.73 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.2 -0.938 . . . . 0.0 108.987 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 198' ' ' ARG . . . . . 0.587 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 67.2 ttt-85 -60.48 -43.1 97.34 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.308 -0.87 . . . . 0.0 108.881 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 199' ' ' LEU . . . . . 0.472 HD22 HG21 ' A' ' 32' ' ' VAL . 1.7 tp -61.41 -41.43 97.14 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.269 -0.894 . . . . 0.0 108.708 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 200' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' B' ' 204' ' ' GLY . 94.1 mtt-85 -58.32 -37.29 74.81 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.339 -0.851 . . . . 0.0 108.756 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.99 82.25 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 202' ' ' LEU . . . . . 0.552 HD22 HG21 ' A' ' 56' ' ' ILE . 11.6 tp -59.06 -40.21 84.46 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 203' ' ' ARG . . . . . 0.491 ' HD3' HD22 ' A' ' 29' ' ' LEU . 72.8 mtm180 -88.16 -7.59 56.66 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.376 -0.827 . . . . 0.0 109.371 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 204' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' B' ' 200' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 117.98 -1.455 . . . . 0.0 109.536 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.8 mtp . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.352 0.596 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.65 ' HB1' ' CE ' ' A' ' 45' ' ' MET . . . -59.79 -37.05 78.02 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.094 -1.004 . . . . 0.0 109.173 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -63.29 -39.89 95.84 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.197 -0.939 . . . . 0.0 109.076 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -58.06 -42.53 85.67 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.861 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.4 -39.25 93.49 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.8 -46.7 84.27 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.275 -0.89 . . . . 0.0 109.491 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.464 ' O ' HG23 ' A' ' 11' ' ' THR . 9.3 tpt180 -60.69 -40.81 93.59 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.069 -1.02 . . . . 0.0 109.064 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.606 ' CG1' HD13 ' A' ' 27' ' ' LEU . 37.6 t -60.97 -38.78 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 121.33 -0.856 . . . . 0.0 108.924 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.38 -38.01 79.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 121.313 -0.867 . . . . 0.0 108.837 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.22 94.92 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.271 -0.972 . . . . 0.0 108.532 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 7' ' ' ARG . 4.3 p -67.54 -35.78 79.73 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.87 91.62 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.457 -0.777 . . . . 0.0 109.048 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -62.83 -42.08 99.59 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.304 -0.872 . . . . 0.0 108.987 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -61.01 -41.49 96.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.231 -0.918 . . . . 0.0 109.383 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.98 -41.09 99.46 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.351 -0.843 . . . . 0.0 109.521 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -58.65 -39.4 80.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.162 -0.961 . . . . 0.0 108.794 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.27 -30.63 70.58 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.471 -0.768 . . . . 0.0 109.09 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -83.66 -13.7 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.507 -0.746 . . . . 0.0 109.562 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.53 22.53 36.73 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.1 mt -95.66 54.44 1.55 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.251 -1.146 . . . . 0.0 108.906 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.11 -30.17 57.16 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.7 mm -58.45 -50.75 77.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.017 -1.284 . . . . 0.0 109.776 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.1 mm -65.24 -43.6 95.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.199 -0.938 . . . . 0.0 109.125 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.27 -40.83 96.38 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.703 ' CE2' HD11 ' A' ' 29' ' ' LEU . 63.2 t80 -61.72 -48.95 78.41 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.144 -1.209 . . . . 0.0 110.517 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.666 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 74.9 t80 -68.63 -44.48 74.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.911 -1.118 . . . . 0.0 110.809 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.724 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -68.57 -36.55 78.92 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.121 -0.987 . . . . 0.0 110.337 -178.844 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.445 ' O ' HG13 ' A' ' 32' ' ' VAL . 22.1 mm100 -63.24 -41.3 99.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.563 -1.336 . . . . 0.0 109.035 179.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.703 HD11 ' CE2' ' A' ' 25' ' ' TYR . 82.5 mt -60.58 -41.49 94.78 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.17 -0.956 . . . . 0.0 108.607 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.518 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 72.7 t80 -65.52 -36.73 84.69 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.34 -0.85 . . . . 0.0 109.416 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.62 87.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.27 -0.894 . . . . 0.0 109.894 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.481 HG21 HD22 ' B' ' 199' ' ' LEU . 0.7 OUTLIER -67.31 -39.75 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.887 -1.133 . . . . 0.0 108.815 179.487 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.419 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 86.4 tt0 -61.27 -35.37 77.11 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.913 -1.117 . . . . 0.0 108.316 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.861 HD23 ' HB2' ' A' ' 5' ' ' ALA . 25.2 tp -64.53 -41.54 96.3 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.483 -0.76 . . . . 0.0 109.502 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.19 -47.68 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.31 -0.869 . . . . 0.0 110.159 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.3 mp -63.24 -36.58 84.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.249 -0.907 . . . . 0.0 109.439 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.9 p -73.35 -21.4 60.55 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.575 ' OE2' ' NE ' ' A' ' 41' ' ' ARG . 84.4 tt0 -74.99 150.89 38.86 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.173 0.511 . . . . 0.0 109.724 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.21 150.2 14.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.345 -0.847 . . . . 0.0 109.252 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -58.49 135.51 57.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.32 -0.862 . . . . 0.0 110.391 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.575 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 68.8 mtt180 -122.67 170.8 9.67 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 57.0 p -57.38 168.76 0.72 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.249 -0.907 . . . . 0.0 109.941 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -56.45 -30.09 62.44 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.532 -0.73 . . . . 0.0 110.785 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -54.04 -40.33 67.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.785 -1.197 . . . . 0.0 109.306 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.65 ' CE ' ' HB1' ' A' ' 2' ' ' ALA . 7.8 tpt -65.33 -39.27 92.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.225 -0.922 . . . . 0.0 108.861 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.1 p -66.53 -34.77 78.65 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.458 -0.776 . . . . 0.0 109.142 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.16 99.02 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.275 -0.89 . . . . 0.0 108.702 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.71 -37.42 87.29 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.403 -0.811 . . . . 0.0 109.163 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.76 -41.72 96.02 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 108.94 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.1 m -62.4 -40.01 95.11 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.309 -0.869 . . . . 0.0 109.351 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.3 -41.82 97.62 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.249 -0.907 . . . . 0.0 109.514 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.23 -39.59 93.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.117 -0.989 . . . . 0.0 109.333 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.638 HD22 HD11 ' B' ' 195' ' ' LEU . 40.4 tp -60.02 -40.98 91.17 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.194 -0.941 . . . . 0.0 109.009 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -61.75 -39.22 90.81 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.387 -0.821 . . . . 0.0 108.988 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.0 m -60.11 -41.65 93.03 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.585 -0.697 . . . . 0.0 109.924 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.1 mt -59.02 -52.93 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.16 -0.963 . . . . 0.0 109.269 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.418 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.8 mt-10 -63.77 -36.85 85.24 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.91 -33.38 74.59 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.542 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.62 -52.99 63.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.309 -0.87 . . . . 0.0 108.804 179.661 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.647 ' NZ ' HG21 ' A' ' 83' ' ' ILE . 27.3 mttt -58.66 -40.01 82.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.065 -1.022 . . . . 0.0 108.836 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -82.67 -1.45 51.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.473 -0.767 . . . . 0.0 110.156 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.1 tt0 -48.4 -35.18 12.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.107 -0.995 . . . . 0.0 110.126 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.717 HD12 ' SD ' ' A' ' 79' ' ' MET . 77.4 mt -68.56 -36.11 73.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 120.942 -1.099 . . . . 0.0 109.744 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.81 -5.41 24.36 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.63 -2.06 79.73 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -65.46 -46.72 78.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.112 -1.228 . . . . 0.0 108.654 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.1 t -68.03 -31.43 71.1 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.512 0.672 . . . . 0.0 109.213 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' ALA . 97.0 mt-10 -61.61 -29.05 69.79 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.588 -0.695 . . . . 0.0 109.94 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -44.84 -38.23 4.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.964 -1.085 . . . . 0.0 109.545 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -111.61 135.31 52.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.349 -0.844 . . . . 0.0 109.07 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 51.62 48.33 23.08 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.088 -1.007 . . . . 0.0 108.943 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.7 p -57.54 -33.93 68.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.223 -0.923 . . . . 0.0 110.133 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.44 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 90.4 m-20 -62.18 -43.98 97.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.161 -0.962 . . . . 0.0 109.933 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -66.01 -40.63 91.28 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.212 -0.93 . . . . 0.0 110.19 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.4 m -60.7 -45.6 93.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.112 -0.992 . . . . 0.0 109.99 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.88 -36.39 80.17 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.24 -0.912 . . . . 0.0 109.513 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.44 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 64.1 m170 -58.88 -45.22 90.72 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.369 -0.832 . . . . 0.0 110.004 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 64.6 t -66.59 -48.98 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.15 -0.969 . . . . 0.0 109.91 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.717 ' SD ' HD12 ' A' ' 63' ' ' ILE . 70.8 mtm -67.27 -46.2 74.36 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.982 -1.074 . . . . 0.0 110.248 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.431 ' C ' ' HD1' ' A' ' 84' ' ' HIS . 42.1 m-20 -69.36 -42.12 75.64 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 120.992 -1.067 . . . . 0.0 110.988 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 54.1 m -69.18 -49.25 58.31 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.081 -1.012 . . . . 0.0 111.891 -178.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.6 mt -72.59 -33.91 67.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.979 -1.076 . . . . 0.0 111.379 -178.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.647 HG21 ' NZ ' ' A' ' 60' ' ' LYS . 78.8 mt -79.24 -37.0 18.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 120.991 -1.068 . . . . 0.0 111.346 -178.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.431 ' HD1' ' C ' ' A' ' 80' ' ' ASN . 77.2 m80 -87.78 -27.96 21.98 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.89 -1.131 . . . . 0.0 111.419 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -83.07 100.21 10.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.661 -1.274 . . . . 0.0 109.903 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -62.49 -41.31 98.73 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.465 -0.772 . . . . 0.0 110.811 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.47 -43.7 98.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.097 -1.002 . . . . 0.0 109.792 -179.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -61.9 -31.57 71.88 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.79 -44.26 90.51 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.42 -0.8 . . . . 0.0 110.056 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -65.17 -49.11 71.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.007 -1.058 . . . . 0.0 111.22 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.084 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -65.08 -38.26 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.618 -1.301 . . . . 0.0 109.014 -178.707 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 1.084 ' N ' HD13 ' A' ' 91' ' ' ILE . 44.4 t80 -61.29 -45.47 94.35 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.666 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 70.1 mtm -70.3 -41.72 72.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.361 -0.837 . . . . 0.0 109.773 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.68 -40.02 90.61 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.144 -0.973 . . . . 0.0 109.373 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -63.65 -47.06 82.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.265 -0.897 . . . . 0.0 110.158 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -67.01 -40.94 87.4 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.183 -0.948 . . . . 0.0 110.041 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -61.89 -45.04 95.46 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.001 -1.062 . . . . 0.0 109.448 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 91.0 mtp -65.81 -41.69 91.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.101 -0.999 . . . . 0.0 109.421 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.6 p -69.55 -34.31 74.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.369 -0.832 . . . . 0.0 109.512 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.9 tp -64.58 -42.63 95.48 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.151 -0.968 . . . . 0.0 109.58 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.656 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 83.1 t80 -64.97 -43.99 90.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.268 -0.895 . . . . 0.0 110.068 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -58.97 -44.7 91.58 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.225 -0.922 . . . . 0.0 109.91 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.33 -45.97 82.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.17 -0.956 . . . . 0.0 109.382 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -64.65 -36.81 85.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.24 -0.912 . . . . 0.0 109.188 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.4 tp -55.6 -48.89 74.13 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.379 -0.826 . . . . 0.0 109.042 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -61.4 -37.73 84.5 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.157 -0.964 . . . . 0.0 109.321 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.8 mt-30 -60.39 -39.89 88.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.224 -0.922 . . . . 0.0 109.653 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.619 HD13 ' CE2' ' A' ' 157' ' ' TYR . 72.0 mt -65.76 -38.38 88.94 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.953 -1.092 . . . . 0.0 109.167 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -77.59 -52.93 8.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.442 -0.787 . . . . 0.0 110.388 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -84.06 -22.92 31.07 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.383 -0.823 . . . . 0.0 110.461 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -104.82 155.78 17.12 Favored Glycine 0 N--CA 1.493 2.483 0 C-N-CA 119.909 -1.139 . . . . 0.0 110.315 -179.105 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -66.47 154.48 74.16 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.89 2.393 . . . . 0.0 111.895 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.725 ' HE1' ' HH ' ' A' ' 157' ' ' TYR . 18.4 m-90 -91.06 126.42 36.14 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.182 -0.949 . . . . 0.0 109.84 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.402 ' H ' HD12 ' A' ' 117' ' ' LEU . 86.4 m-20 -134.05 164.28 27.67 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.424 -0.797 . . . . 0.0 108.947 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -62.76 -32.61 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.125 -0.985 . . . . 0.0 109.207 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.432 ' HA ' ' HE ' ' A' ' 119' ' ' ARG . 69.7 mtm -60.09 -40.58 90.08 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 109.348 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.402 HD12 ' H ' ' A' ' 114' ' ' ASP . 82.3 mt -63.96 -38.47 91.2 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.303 -0.873 . . . . 0.0 109.426 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -60.27 -40.94 92.13 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.211 -0.931 . . . . 0.0 109.038 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.432 ' HE ' ' HA ' ' A' ' 116' ' ' MET . 79.7 mtm180 -62.19 -39.34 92.38 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.545 -0.722 . . . . 0.0 109.384 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 85.7 p -64.28 -36.98 85.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.375 -0.828 . . . . 0.0 109.921 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.11 -40.45 90.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.152 -0.968 . . . . 0.0 109.538 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' TRP . . . . . 0.553 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 80.5 m95 -61.81 -40.48 95.39 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.152 -0.967 . . . . 0.0 109.294 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.3 m -64.83 -42.13 95.19 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.275 -0.891 . . . . 0.0 109.589 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.5 m -60.94 -48.23 82.76 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.176 -0.953 . . . . 0.0 109.617 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.22 -36.64 69.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.028 -1.045 . . . . 0.0 108.816 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -59.97 -39.2 84.84 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.253 -0.904 . . . . 0.0 108.929 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.83 -43.63 98.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.263 -0.898 . . . . 0.0 109.287 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -67.02 -43.14 83.61 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -0.905 . . . . 0.0 109.987 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.0 m -65.7 -38.11 88.32 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.186 -0.946 . . . . 0.0 110.499 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.518 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 71.4 m -68.09 -49.66 59.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 0.0 110.7 -178.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 16.3 pt -74.03 -38.18 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 120.93 -1.106 . . . . 0.0 110.152 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.862 HD13 HD23 ' A' ' 147' ' ' LEU . 51.3 tp -60.26 -41.37 93.11 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.251 -0.906 . . . . 0.0 109.565 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -69.43 -49.3 56.39 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.312 -0.868 . . . . 0.0 110.714 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 43.7 tp -63.39 -46.84 84.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.053 -1.029 . . . . 0.0 110.825 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 7.1 m-90 -87.87 5.36 40.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.075 -1.015 . . . . 0.0 110.458 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.59 -43.17 35.74 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.045 -1.034 . . . . 0.0 109.706 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -69.27 -21.33 63.9 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.244 -0.91 . . . . 0.0 109.362 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -89.39 -5.2 57.64 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.365 -0.834 . . . . 0.0 110.527 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.7 mt -112.3 146.79 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.318 -0.864 . . . . 0.0 109.764 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.7 m -77.1 154.91 32.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.449 -0.782 . . . . 0.0 109.336 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.34 -40.79 83.1 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.156 -0.965 . . . . 0.0 109.878 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 26.0 m -72.1 -42.79 65.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.818 -1.176 . . . . 0.0 109.298 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.2 m -59.23 -40.11 84.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.201 -0.937 . . . . 0.0 108.605 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.495 ' O ' ' OE1' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -66.13 -38.3 87.81 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -54.13 -45.39 71.93 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.393 -0.817 . . . . 0.0 109.543 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.3 m -64.35 -46.49 83.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.082 -1.011 . . . . 0.0 109.444 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.862 HD23 HD13 ' A' ' 132' ' ' LEU . 60.0 tp -64.91 -39.67 93.88 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.282 -0.886 . . . . 0.0 109.668 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLN . . . . . 0.789 ' NE2' HD21 ' A' ' 132' ' ' LEU . 0.3 OUTLIER -62.47 -38.62 90.52 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.241 -0.912 . . . . 0.0 109.31 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -64.06 -38.16 90.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.188 -0.945 . . . . 0.0 109.545 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -60.92 -41.26 95.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.158 -0.964 . . . . 0.0 109.006 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 84.3 mt -61.59 -40.97 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.465 -0.772 . . . . 0.0 109.037 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -58.87 -40.84 85.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.392 -0.818 . . . . 0.0 108.939 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' TYR . . . . . 0.433 ' HA ' HD12 ' A' ' 156' ' ' ILE . 65.7 t80 -59.05 -44.02 91.74 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.0 109.084 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' CYS . . . . . 0.656 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 78.7 m -63.9 -50.32 69.2 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.365 -0.834 . . . . 0.0 108.816 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -61.86 -34.93 76.89 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.469 -0.769 . . . . 0.0 109.199 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 153' ' ' TYR . 11.7 mt -58.08 -48.02 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.223 -0.923 . . . . 0.0 109.974 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.829 ' CE1' HD11 ' A' ' 166' ' ' ILE . 51.1 t80 -63.15 -41.07 99.2 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.553 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 32.7 tp -62.75 -42.67 99.79 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.757 -0.59 . . . . 0.0 109.761 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 20.8 m -64.46 -45.92 85.35 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.194 -0.941 . . . . 0.0 109.848 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -61.83 -42.81 99.49 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.159 -0.963 . . . . 0.0 109.04 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 27.7 tp -66.75 -35.17 79.48 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.342 -0.849 . . . . 0.0 109.035 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.86 -35.09 75.69 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.438 -0.789 . . . . 0.0 109.536 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -81.23 -8.49 59.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.195 -0.94 . . . . 0.0 108.921 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.79 -5.68 76.59 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -96.17 103.33 15.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.169 -1.195 . . . . 0.0 109.332 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ILE . . . . . 0.829 HD11 ' CE1' ' A' ' 157' ' ' TYR . 7.0 tp -141.68 146.97 22.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.07 -1.019 . . . . 0.0 109.826 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.018 0 CA-C-O 118.016 -1.435 . . . . 0.0 109.621 179.76 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 177' ' ' VAL . . . . . 0.417 ' H ' HG22 ' B' ' 177' ' ' VAL . 0.3 OUTLIER -67.84 153.38 95.27 Favored Pre-proline 0 N--CA 1.489 1.518 0 O-C-N 121.183 -0.948 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -60.23 143.57 99.51 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.612 2.208 . . . . 0.0 112.062 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.14 -33.67 74.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.263 -0.898 . . . . 0.0 109.405 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 70.4 mt -116.11 136.66 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.461 -0.774 . . . . 0.0 109.425 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -82.74 141.38 32.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.235 -0.916 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -148.34 156.68 42.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.274 -0.891 . . . . 0.0 109.669 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 57.54 41.43 25.84 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.524 -0.735 . . . . 0.0 109.697 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.17 143.62 55.18 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.175 -0.953 . . . . 0.0 109.399 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 13.0 p -132.33 144.01 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.303 -0.873 . . . . 0.0 109.612 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -115.29 160.98 19.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.482 -0.761 . . . . 0.0 109.448 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.85 -39.84 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.245 -0.909 . . . . 0.0 109.415 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -59.11 -33.63 71.08 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.9 -1.125 . . . . 0.0 109.232 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -59.21 -47.65 84.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.442 -0.786 . . . . 0.0 110.662 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -67.22 -38.92 86.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.103 -0.998 . . . . 0.0 109.934 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -57.32 -42.03 81.06 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.726 -1.234 . . . . 0.0 109.029 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.48 -38.3 90.52 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.301 -0.875 . . . . 0.0 108.877 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.81 -39.52 92.05 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.362 -0.836 . . . . 0.0 108.962 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -60.53 -44.24 96.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.0 109.309 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 195' ' ' LEU . . . . . 0.638 HD11 HD22 ' A' ' 53' ' ' LEU . 25.6 tp -60.83 -39.58 89.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.249 -0.907 . . . . 0.0 109.153 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.43 96.74 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.341 -0.849 . . . . 0.0 109.602 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -64.7 -36.04 83.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.11 -0.994 . . . . 0.0 109.364 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 198' ' ' ARG . . . . . 0.418 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 76.9 ttt180 -61.39 -42.95 99.54 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.179 -0.95 . . . . 0.0 108.906 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 199' ' ' LEU . . . . . 0.481 HD22 HG21 ' A' ' 32' ' ' VAL . 1.5 tp -63.44 -41.73 98.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.404 -0.81 . . . . 0.0 109.476 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 200' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' B' ' 204' ' ' GLY . 98.3 mtt180 -57.79 -36.54 72.32 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.269 -0.895 . . . . 0.0 109.116 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.21 88.07 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.117 -0.99 . . . . 0.0 108.432 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 7.1 tp -65.61 -38.0 88.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.387 -0.821 . . . . 0.0 108.9 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -87.53 -7.32 57.72 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.443 -0.785 . . . . 0.0 109.364 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 204' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' B' ' 200' ' ' ARG . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.0 mtm . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.837 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -59.18 -40.48 85.81 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.248 -0.908 . . . . 0.0 109.109 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -64.35 -34.85 79.11 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.143 -0.973 . . . . 0.0 108.987 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -58.96 -41.95 88.71 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.635 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.96 -39.53 94.35 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.75 -45.72 89.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.333 -0.855 . . . . 0.0 109.359 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -60.64 -39.13 87.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.161 -0.962 . . . . 0.0 109.011 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.574 ' CG1' HD13 ' A' ' 27' ' ' LEU . 47.4 t -61.77 -39.89 84.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.319 -0.863 . . . . 0.0 109.453 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.2 t -60.87 -41.84 90.29 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 O-C-N 121.13 -0.981 . . . . 0.0 108.485 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.56 -45.16 80.23 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.334 -0.854 . . . . 0.0 108.949 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.52 -34.4 77.83 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.332 -0.855 . . . . 0.0 108.694 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.96 93.48 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.152 -0.968 . . . . 0.0 108.815 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -62.29 -39.7 93.82 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.404 -0.81 . . . . 0.0 109.025 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -59.07 -43.32 91.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.222 -0.923 . . . . 0.0 109.515 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -63.48 -39.89 95.66 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.286 -0.884 . . . . 0.0 109.482 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -58.57 -38.62 78.28 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.076 -1.015 . . . . 0.0 108.672 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.55 -31.36 71.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.463 -0.773 . . . . 0.0 109.111 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -83.78 -14.77 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.433 -0.792 . . . . 0.0 109.755 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.82 24.29 33.12 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.9 mt -95.55 54.93 1.63 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.227 -1.161 . . . . 0.0 109.385 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.96 -28.34 48.04 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.42 ' N ' HD13 ' A' ' 22' ' ' ILE . 9.7 mm -58.52 -52.24 61.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.105 -1.232 . . . . 0.0 109.685 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.2 mm -64.1 -35.84 75.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.7 -47.08 92.18 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.812 ' CE2' HD11 ' A' ' 29' ' ' LEU . 65.9 t80 -61.55 -48.44 81.0 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.034 -1.274 . . . . 0.0 110.181 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.669 ' CD2' ' SD ' ' A' ' 93' ' ' MET . 65.1 t80 -64.73 -45.41 86.64 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.241 -0.912 . . . . 0.0 110.899 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.739 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -66.76 -36.4 82.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.954 -1.091 . . . . 0.0 110.141 -178.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -61.71 -39.79 92.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.72 -1.238 . . . . 0.0 108.769 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.812 HD11 ' CE2' ' A' ' 25' ' ' TYR . 93.5 mt -61.02 -39.06 88.33 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -65.82 -36.21 82.85 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.209 -0.932 . . . . 0.0 109.32 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.8 92.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.362 -0.836 . . . . 0.0 110.338 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.699 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -65.72 -41.77 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.793 -1.192 . . . . 0.0 109.038 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.68 -35.61 78.48 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.943 -1.098 . . . . 0.0 108.946 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.635 HD23 ' HB2' ' A' ' 5' ' ' ALA . 35.2 tp -64.7 -43.13 94.49 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 110.069 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.56 -48.18 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.066 -1.021 . . . . 0.0 110.064 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.491 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -64.53 -35.25 80.36 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.353 -0.842 . . . . 0.0 109.327 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.9 m -83.54 -0.12 48.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.234 -0.916 . . . . 0.0 109.211 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.837 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 84.7 tt0 -89.99 149.92 22.35 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.341 -0.849 . . . . 0.0 109.787 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -57.06 151.0 15.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.381 -0.824 . . . . 0.0 109.566 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -58.73 131.94 52.38 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.403 -0.81 . . . . 0.0 109.9 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.577 ' NH1' ' CB ' ' A' ' 2' ' ' ALA . 68.5 mtp180 -122.07 170.02 10.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.611 -0.68 . . . . 0.0 109.628 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.7 m -58.11 170.02 0.73 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.385 -0.822 . . . . 0.0 109.847 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.13 -28.0 56.23 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.486 -0.759 . . . . 0.0 110.552 -178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.29 -40.39 48.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.782 -1.199 . . . . 0.0 109.294 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.577 ' O ' ' SD ' ' A' ' 45' ' ' MET . 7.0 tmm? -63.36 -38.22 90.31 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.227 -0.921 . . . . 0.0 109.068 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.1 p -62.07 -36.41 81.57 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.24 -0.912 . . . . 0.0 109.133 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.47 ' O ' ' OG1' ' A' ' 50' ' ' THR . . . -63.96 -43.12 96.75 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.179 -0.951 . . . . 0.0 108.734 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.13 -35.56 81.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.328 -0.858 . . . . 0.0 109.061 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.9 -38.25 90.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.301 -0.875 . . . . 0.0 109.321 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 47' ' ' ALA . 70.0 p -65.39 -43.24 91.31 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.338 -0.851 . . . . 0.0 109.339 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.75 -40.2 91.58 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.64 -39.23 87.51 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.309 -0.869 . . . . 0.0 108.793 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.693 HD22 HD11 ' B' ' 195' ' ' LEU . 36.1 tp -59.8 -40.93 90.02 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.311 -0.868 . . . . 0.0 108.733 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -59.95 -39.39 85.42 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' PHE . 47.2 m -60.25 -39.93 88.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.696 -0.627 . . . . 0.0 109.566 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.651 HG21 HD22 ' B' ' 202' ' ' LEU . 31.6 mm -59.83 -55.16 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.119 -0.988 . . . . 0.0 109.233 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -63.43 -38.08 89.77 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.588 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.03 -31.98 71.16 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 55' ' ' THR . 82.3 t80 -59.22 -54.37 47.68 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.299 -0.875 . . . . 0.0 109.55 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.406 ' NZ ' HD11 ' B' ' 202' ' ' LEU . 48.5 mttp -62.33 -41.7 98.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.034 -1.041 . . . . 0.0 109.33 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -82.73 -3.07 55.98 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.318 -0.864 . . . . 0.0 110.071 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.72 -35.33 21.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.205 -0.934 . . . . 0.0 109.821 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.406 HG22 ' H ' ' A' ' 65' ' ' GLY . 85.1 mt -68.66 -37.55 77.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.152 -0.968 . . . . 0.0 109.796 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.84 -5.36 12.62 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.406 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 91.82 -5.52 79.41 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.64 -46.6 81.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.126 -1.22 . . . . 0.0 109.765 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -64.62 -34.77 79.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.207 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 69' ' ' ALA . 97.1 mt-10 -62.45 -28.65 69.95 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.451 -0.781 . . . . 0.0 109.904 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -39.26 -37.33 0.41 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.389 -0.82 . . . . 0.0 109.882 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -112.08 132.57 54.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.402 -0.811 . . . . 0.0 109.155 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 50.94 48.61 22.71 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.127 -0.983 . . . . 0.0 108.998 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 p -57.31 -36.54 71.23 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.251 -0.906 . . . . 0.0 110.127 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.583 ' O ' ' ND1' ' A' ' 77' ' ' HIS . 90.3 m-20 -62.11 -43.76 98.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.1 -1.0 . . . . 0.0 109.887 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -63.79 -41.66 97.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.327 -0.858 . . . . 0.0 109.95 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.5 t -59.51 -42.74 92.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.957 . . . . 0.0 110.115 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 76' ' ' LEU . 86.3 mt -65.12 -40.32 94.33 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.15 -0.969 . . . . 0.0 109.824 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.583 ' ND1' ' O ' ' A' ' 73' ' ' ASP . 61.9 m80 -62.59 -45.64 91.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.165 -0.959 . . . . 0.0 110.198 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.06 -49.81 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.158 -0.964 . . . . 0.0 110.11 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.422 ' HE2' ' HB3' ' A' ' 79' ' ' MET . 96.9 mmm -68.3 -46.66 69.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.245 -0.909 . . . . 0.0 110.81 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.591 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 57.3 t-20 -68.98 -45.56 70.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.016 -1.053 . . . . 0.0 111.631 -178.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 54.0 m -63.92 -47.7 79.48 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.091 -1.006 . . . . 0.0 111.963 -178.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.597 HD23 ' CG ' ' A' ' 88' ' ' LYS . 19.9 mt -72.72 -34.07 66.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.949 -1.094 . . . . 0.0 111.563 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 90.1 mt -79.32 -42.26 23.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 120.912 -1.117 . . . . 0.0 111.361 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.591 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 63.6 m80 -75.92 -42.48 48.76 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.053 -1.03 . . . . 0.0 111.367 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -81.63 107.4 14.36 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.801 -1.187 . . . . 0.0 110.019 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 87' ' ' GLU . 12.4 pt20 -62.34 -40.53 96.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.419 -0.801 . . . . 0.0 109.938 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 86' ' ' GLN . 97.6 mt-10 -61.39 -40.96 96.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.198 -0.938 . . . . 0.0 109.392 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.597 ' CG ' HD23 ' A' ' 82' ' ' LEU . 17.3 tptm -61.88 -33.01 73.42 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.82 -44.41 81.21 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.153 -0.967 . . . . 0.0 110.086 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -63.46 -49.1 74.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.118 -0.989 . . . . 0.0 111.26 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.105 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -60.58 -38.24 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.75 -1.219 . . . . 0.0 108.822 -178.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 1.105 ' N ' HD13 ' A' ' 91' ' ' ILE . 55.5 t80 -62.2 -40.25 95.46 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.669 ' SD ' ' CD2' ' A' ' 26' ' ' TYR . 87.9 mtp -67.1 -42.41 84.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.493 -0.754 . . . . 0.0 110.036 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 98' ' ' MET . 90.9 mt -60.99 -37.5 82.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.903 -1.123 . . . . 0.0 109.147 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -64.85 -49.46 70.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.162 -0.961 . . . . 0.0 109.981 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -80.04 -49.59 11.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.329 -0.857 . . . . 0.0 109.484 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.601 HG22 ' CZ ' ' A' ' 128' ' ' PHE . 15.0 m -55.85 -43.42 77.03 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.399 -0.813 . . . . 0.0 109.587 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.443 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 51.5 ttm -67.54 -46.3 73.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.002 -1.062 . . . . 0.0 109.42 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.1 p -66.2 -35.06 79.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.388 -0.82 . . . . 0.0 109.499 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.2 tp -63.8 -40.44 96.64 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.337 -0.852 . . . . 0.0 109.608 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.663 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 75.8 t80 -65.93 -48.34 71.73 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.311 -0.868 . . . . 0.0 110.343 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -62.0 -46.7 88.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.1 -1.0 . . . . 0.0 109.866 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.12 -36.28 83.51 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.238 -0.914 . . . . 0.0 109.129 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.532 ' CE ' ' OG ' ' A' ' 120' ' ' SER . 56.1 tttm -61.87 -41.69 98.16 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.329 -0.857 . . . . 0.0 109.326 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.602 HD11 ' CE2' ' A' ' 101' ' ' TYR . 92.7 mt -59.01 -43.46 91.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.121 -0.987 . . . . 0.0 108.686 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -60.36 -37.9 82.14 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.295 -0.878 . . . . 0.0 109.066 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.7 mt-30 -63.05 -39.71 95.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.377 -0.827 . . . . 0.0 109.577 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.924 HD13 ' CE2' ' A' ' 157' ' ' TYR . 67.6 mt -64.68 -37.91 89.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.116 -0.99 . . . . 0.0 109.028 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -78.11 -52.97 7.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.566 -0.709 . . . . 0.0 110.403 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -83.67 -22.97 31.94 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.462 -0.774 . . . . 0.0 110.439 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.594 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.46 155.25 17.95 Favored Glycine 0 N--CA 1.493 2.485 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.266 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.09 154.23 70.72 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.921 2.414 . . . . 0.0 112.01 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.589 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 11.7 m-90 -91.17 123.74 34.85 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.202 -0.937 . . . . 0.0 109.454 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 47.9 t0 -135.64 169.62 17.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.343 -0.848 . . . . 0.0 109.424 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.422 ' H ' HG13 ' A' ' 115' ' ' VAL . 3.2 m -61.01 -32.45 52.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.293 -0.879 . . . . 0.0 109.368 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.402 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.4 mtm -59.56 -36.71 76.72 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.272 -0.893 . . . . 0.0 109.218 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.9 mm? -64.16 -38.74 92.16 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.218 -0.926 . . . . 0.0 109.067 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.492 ' HE3' HD12 ' A' ' 161' ' ' LEU . 18.7 mttt -59.99 -43.41 95.16 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.338 -0.851 . . . . 0.0 109.23 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -61.92 -39.14 90.99 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.448 -0.783 . . . . 0.0 109.308 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.532 ' OG ' ' CE ' ' A' ' 104' ' ' LYS . 94.4 p -66.11 -35.51 80.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.394 -0.816 . . . . 0.0 109.754 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.495 HD21 ' HZ2' ' A' ' 104' ' ' LYS . 95.0 mt -63.96 -41.27 97.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 109.354 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.765 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 90.5 m95 -63.51 -41.37 98.53 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.147 -0.971 . . . . 0.0 109.188 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.7 m -67.68 -43.41 80.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.857 . . . . 0.0 109.893 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 88.6 m -57.25 -48.26 79.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.094 -1.004 . . . . 0.0 109.643 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.28 -37.88 75.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.21 -0.931 . . . . 0.0 109.09 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.24 -39.65 87.47 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.368 -0.833 . . . . 0.0 109.38 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.84 -44.41 96.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.214 -0.929 . . . . 0.0 109.694 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.601 ' CZ ' HG22 ' A' ' 97' ' ' THR . 76.7 m-85 -71.68 -42.43 67.46 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.256 -0.903 . . . . 0.0 109.829 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.9 p -65.7 -34.3 77.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.238 -0.914 . . . . 0.0 109.879 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.447 ' SG ' ' OH ' ' A' ' 26' ' ' TYR . 1.6 t -68.77 -49.8 55.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.113 -0.992 . . . . 0.0 109.869 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 83.9 mt -63.47 -50.09 79.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 121.232 -0.918 . . . . 0.0 109.913 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.793 HD13 HD23 ' A' ' 147' ' ' LEU . 55.7 tp -62.23 -41.11 98.12 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.358 -0.839 . . . . 0.0 110.258 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -60.42 -49.52 77.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.185 -0.947 . . . . 0.0 110.456 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.8 tp -67.79 -44.05 78.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.061 -1.024 . . . . 0.0 110.135 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -87.07 3.45 46.07 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.268 -0.895 . . . . 0.0 110.598 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.635 ' HZ3' ' CB ' ' A' ' 144' ' ' THR . 11.7 tptt -51.3 -38.29 52.06 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.057 -1.027 . . . . 0.0 109.999 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -64.65 -24.32 67.54 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 109.525 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -91.61 -3.2 56.66 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.266 -0.896 . . . . 0.0 110.571 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.2 mm -103.87 144.61 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.952 -1.092 . . . . 0.0 109.466 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 48.8 m -77.18 155.12 32.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.334 -0.853 . . . . 0.0 108.962 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.37 -41.92 81.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.055 -1.028 . . . . 0.0 109.84 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 27.1 m -71.78 -42.87 66.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.961 -1.087 . . . . 0.0 109.263 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 29.2 t -58.85 -38.91 79.79 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.148 -0.97 . . . . 0.0 108.477 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.635 ' CB ' ' HZ3' ' A' ' 136' ' ' LYS . 0.4 OUTLIER -64.74 -38.43 90.96 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -55.97 -45.55 78.88 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.508 -0.745 . . . . 0.0 109.726 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.5 m -63.22 -46.34 87.43 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.112 -0.992 . . . . 0.0 109.537 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.793 HD23 HD13 ' A' ' 132' ' ' LEU . 58.9 tp -65.16 -40.84 94.9 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.31 -0.869 . . . . 0.0 109.528 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.74 HE22 HD21 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -61.61 -38.3 87.08 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.238 -0.914 . . . . 0.0 109.388 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -62.37 -39.51 93.42 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.977 -1.077 . . . . 0.0 108.873 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -59.52 -39.72 84.82 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.25 -0.906 . . . . 0.0 108.816 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 33.4 mm -61.78 -40.22 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.328 -0.858 . . . . 0.0 108.922 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 156' ' ' ILE . 22.4 tttt -57.96 -42.1 84.3 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.379 -0.825 . . . . 0.0 108.829 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.504 ' HA ' HD12 ' A' ' 156' ' ' ILE . 70.7 t80 -59.57 -44.85 93.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -0.882 . . . . 0.0 108.928 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . 0.663 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 36.6 m -65.36 -48.58 72.45 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.09 -33.98 75.44 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 153' ' ' TYR . 7.7 mt -57.78 -47.61 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 O-C-N 121.269 -0.894 . . . . 0.0 109.517 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.924 ' CE2' HD13 ' A' ' 108' ' ' LEU . 67.8 t80 -62.86 -39.56 94.79 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.765 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 41.2 tp -61.71 -42.28 98.73 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.627 -0.671 . . . . 0.0 109.769 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 86.2 p -66.46 -39.73 89.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.223 -0.923 . . . . 0.0 109.978 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.85 -38.65 89.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.133 -0.979 . . . . 0.0 109.226 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.492 HD12 ' HE3' ' A' ' 118' ' ' LYS . 3.4 mm? -66.5 -35.64 80.75 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.285 -0.884 . . . . 0.0 108.987 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.02 86.84 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.324 -0.86 . . . . 0.0 109.258 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -81.93 -12.34 58.45 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.293 -0.879 . . . . 0.0 109.382 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 89.02 -1.07 82.75 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -95.05 150.19 20.44 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.232 -1.158 . . . . 0.0 109.728 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 37.8 mm . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.493 -0.754 . . . . 0.0 109.456 179.614 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.71 -41.45 95.29 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.336 -0.853 . . . . 0.0 109.093 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 39.9 tttp -62.02 -44.51 96.56 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.331 -0.856 . . . . 0.0 109.124 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 195' ' ' LEU . . . . . 0.693 HD11 HD22 ' A' ' 53' ' ' LEU . 11.6 tp -61.43 -41.46 97.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.285 -0.885 . . . . 0.0 108.961 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.1 -35.96 82.8 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.395 -0.815 . . . . 0.0 109.39 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -64.72 -36.33 83.93 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.133 -0.979 . . . . 0.0 109.419 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -65.22 -43.48 91.34 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.096 -1.003 . . . . 0.0 109.243 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 199' ' ' LEU . . . . . 0.699 HD22 HG21 ' A' ' 32' ' ' VAL . 5.9 tp -63.37 -47.32 82.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.189 -0.944 . . . . 0.0 109.511 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -60.5 -37.76 82.14 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.175 -0.953 . . . . 0.0 109.022 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.01 79.48 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 202' ' ' LEU . . . . . 0.651 HD22 HG21 ' A' ' 56' ' ' ILE . 18.8 tp -60.36 -38.56 84.25 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 203' ' ' ARG . . . . . 0.594 ' NE ' HD22 ' A' ' 29' ' ' LEU . 95.5 mtt180 -87.39 -10.61 51.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.333 -0.854 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 CA-C-O 117.993 -1.448 . . . . 0.0 109.566 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.41 ' H2 ' ' HB2' ' A' ' 4' ' ' ASN . 64.7 mtt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.59 ' HB1' ' CE ' ' A' ' 45' ' ' MET . . . -59.3 -39.04 81.78 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.145 -0.972 . . . . 0.0 109.048 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -63.55 -38.74 92.27 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.258 -0.901 . . . . 0.0 108.845 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.41 ' HB2' ' H2 ' ' A' ' 1' ' ' MET . 2.9 m120 -57.66 -39.61 77.44 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.713 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.51 -39.67 95.04 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.83 95.08 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.395 -0.816 . . . . 0.0 109.201 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.651 ' NH1' ' NH2' ' A' ' 119' ' ' ARG . 14.5 tpp85 -60.4 -39.89 88.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.253 -0.904 . . . . 0.0 109.019 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.488 ' CG1' HD13 ' A' ' 27' ' ' LEU . 54.0 t -62.0 -37.94 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.336 -0.853 . . . . 0.0 109.058 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.65 -40.71 85.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.97 81.45 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.391 -0.818 . . . . 0.0 108.936 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -35.45 80.87 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -59.44 -42.03 90.97 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.206 -0.934 . . . . 0.0 108.538 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -60.43 -38.51 84.32 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -58.25 -41.08 83.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.373 -0.829 . . . . 0.0 109.108 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -62.03 -41.46 98.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.0 109.482 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -58.61 -39.16 79.63 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.129 -0.982 . . . . 0.0 109.06 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -61.51 -32.74 72.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.427 -0.796 . . . . 0.0 109.314 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.585 HG12 HD13 ' A' ' 20' ' ' LEU . 13.0 t -84.29 -14.31 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.0 109.545 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.2 8.32 68.81 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.585 HD13 HG12 ' A' ' 18' ' ' VAL . 11.0 mp -97.66 54.67 1.18 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.384 -1.068 . . . . 0.0 109.193 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.84 -22.83 35.44 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.1 mm -58.11 -48.8 83.51 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.073 -1.251 . . . . 0.0 109.831 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.428 HD11 ' CE2' ' A' ' 92' ' ' TYR . 23.1 mm -63.43 -42.57 96.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.042 -1.036 . . . . 0.0 108.947 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.54 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.63 -38.52 93.86 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.857 ' CE2' HD11 ' A' ' 29' ' ' LEU . 71.2 t80 -62.97 -47.6 82.45 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.023 -1.28 . . . . 0.0 110.641 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -59.93 -46.73 88.44 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.126 -0.984 . . . . 0.0 111.267 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.54 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.8 pp -66.71 -33.78 76.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.677 -1.264 . . . . 0.0 110.177 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.477 ' N ' HD12 ' A' ' 27' ' ' LEU . 91.2 mt-30 -60.19 -40.68 90.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.667 -1.271 . . . . 0.0 108.421 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.857 HD11 ' CE2' ' A' ' 25' ' ' TYR . 87.0 mt -59.95 -42.28 93.71 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.66 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 89.5 t80 -64.47 -35.69 81.76 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.616 -0.678 . . . . 0.0 109.266 178.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.94 -45.28 86.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.335 -0.853 . . . . 0.0 109.901 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.848 ' CG2' HD22 ' B' ' 199' ' ' LEU . 0.7 OUTLIER -67.08 -40.23 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 120.881 -1.137 . . . . 0.0 108.762 179.504 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 97.0 mt-10 -61.78 -35.51 78.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.948 -1.095 . . . . 0.0 108.6 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.713 HD23 ' HB2' ' A' ' 5' ' ' ALA . 31.9 tp -64.48 -42.0 96.14 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.426 -0.796 . . . . 0.0 109.832 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.469 HD11 HD12 ' A' ' 52' ' ' LEU . 92.4 mt -61.44 -48.49 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.239 -0.913 . . . . 0.0 110.088 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 36' ' ' LEU . 7.2 mp -65.19 -34.58 78.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.319 -0.863 . . . . 0.0 109.702 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.8 m -83.28 -0.21 48.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 0.0 109.354 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.58 ' OE2' ' N ' ' A' ' 2' ' ' ALA . 83.8 tt0 -96.85 150.45 20.71 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.325 -0.86 . . . . 0.0 109.701 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.7 149.45 17.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.254 -0.904 . . . . 0.0 109.526 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -58.93 138.82 57.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.359 -0.838 . . . . 0.0 110.272 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.537 ' HE ' ' CD ' ' A' ' 38' ' ' GLU . 94.5 mtt-85 -122.71 170.79 9.69 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -57.46 166.4 1.26 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.293 -0.88 . . . . 0.0 110.036 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.8 -30.97 64.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.555 -0.715 . . . . 0.0 110.904 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.455 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 55.1 mp0 -54.79 -40.09 69.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.81 -1.181 . . . . 0.0 109.629 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.59 ' CE ' ' HB1' ' A' ' 2' ' ' ALA . 5.2 tpt -64.68 -37.48 87.73 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.041 -1.037 . . . . 0.0 108.898 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.7 m -59.78 -40.84 89.62 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.523 -0.735 . . . . 0.0 109.383 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.91 -44.21 96.71 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.2 -0.938 . . . . 0.0 108.92 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.524 HD23 ' CE ' ' A' ' 45' ' ' MET . 34.2 tp -61.16 -39.67 90.98 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.293 -0.879 . . . . 0.0 108.973 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.78 90.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.366 -0.834 . . . . 0.0 109.06 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.7 m -60.76 -40.8 93.84 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.258 -0.901 . . . . 0.0 108.859 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.99 -39.52 89.97 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.368 -0.832 . . . . 0.0 109.166 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.469 HD12 HD11 ' A' ' 35' ' ' ILE . 73.5 mt -61.74 -40.66 95.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.15 -0.969 . . . . 0.0 109.14 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.0 HD21 ' HE ' ' B' ' 198' ' ' ARG . 42.3 tp -59.94 -40.34 88.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.129 -0.982 . . . . 0.0 108.662 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -60.12 -38.45 83.05 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 59' ' ' PHE . 32.4 m -60.12 -42.56 95.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.685 -0.635 . . . . 0.0 109.427 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.527 HD12 HD12 ' A' ' 53' ' ' LEU . 90.7 mt -57.87 -52.28 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.149 -0.969 . . . . 0.0 108.714 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.21 -36.35 81.67 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.39 -32.88 74.54 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' THR . 77.4 t80 -58.58 -51.69 68.83 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.263 -0.898 . . . . 0.0 108.804 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.419 ' NZ ' HD11 ' B' ' 202' ' ' LEU . 98.5 mttt -61.51 -39.24 90.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.222 -0.923 . . . . 0.0 108.909 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -82.3 -1.6 50.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.509 -0.744 . . . . 0.0 109.66 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.6 tt0 -48.43 -33.54 9.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.311 -0.868 . . . . 0.0 110.111 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.964 HD11 ' SD ' ' A' ' 79' ' ' MET . 85.9 mt -67.72 -41.04 84.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.015 -1.053 . . . . 0.0 109.596 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.49 -5.54 10.35 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.209 -1.557 . . . . 0.0 109.209 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.522 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 91.2 -5.24 81.27 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -66.56 -46.6 75.5 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.091 -1.241 . . . . 0.0 108.76 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.415 ' HB3' HG23 ' A' ' 63' ' ' ILE . 9.1 t -66.99 -30.88 71.11 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.521 0.677 . . . . 0.0 109.179 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.25 -28.68 69.34 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.469 -0.77 . . . . 0.0 109.886 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.97 -36.34 72.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.993 -1.067 . . . . 0.0 110.098 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -122.79 139.38 54.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.274 -0.891 . . . . 0.0 109.867 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 48.55 43.78 20.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.275 -0.891 . . . . 0.0 109.165 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -42.08 99.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.353 -0.842 . . . . 0.0 110.462 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.587 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 91.0 m-20 -60.99 -45.04 96.4 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.046 -1.034 . . . . 0.0 109.806 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -69.82 -44.42 70.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.302 -0.874 . . . . 0.0 110.513 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.8 m -61.64 -45.3 94.63 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.089 -1.007 . . . . 0.0 110.237 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 99.2 mt -68.3 -38.54 81.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.982 . . . . 0.0 110.109 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.587 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 66.6 m170 -58.07 -45.34 87.27 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.165 -0.959 . . . . 0.0 110.324 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.77 -49.55 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.049 -1.032 . . . . 0.0 110.217 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.964 ' SD ' HD11 ' A' ' 63' ' ' ILE . 88.8 mtp -68.07 -46.14 71.87 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.18 -0.95 . . . . 0.0 110.894 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.472 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 2.7 m120 -69.13 -44.16 72.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.954 -1.091 . . . . 0.0 110.908 -178.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 88.9 m -61.86 -47.44 85.01 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.036 -1.04 . . . . 0.0 111.394 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.1 mt -73.47 -34.66 65.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.904 -1.122 . . . . 0.0 110.985 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.7 mt -80.33 -42.77 21.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 120.99 -1.069 . . . . 0.0 111.405 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 74.8 m80 -71.35 -47.99 53.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.021 -1.049 . . . . 0.0 111.14 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -79.47 111.18 15.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.908 -1.12 . . . . 0.0 110.119 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -61.79 -36.48 81.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.442 -0.786 . . . . 0.0 109.848 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.524 ' OE2' ' CH2' ' A' ' 135' ' ' TRP . 76.7 mm-40 -59.66 -41.21 90.08 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.2 -0.937 . . . . 0.0 109.624 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -62.53 -34.46 76.97 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.173 -0.954 . . . . 0.0 108.651 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.2 -41.94 69.64 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.271 -0.893 . . . . 0.0 109.467 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -62.42 -48.38 79.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.184 -0.947 . . . . 0.0 109.764 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.814 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -70.19 -45.09 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.304 -0.873 . . . . 0.0 109.29 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.814 ' N ' HD12 ' A' ' 91' ' ' ILE . 57.8 t80 -61.61 -46.02 91.62 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.1 -1.0 . . . . 0.0 108.483 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.8 mmm -65.56 -40.62 93.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.308 -0.87 . . . . 0.0 109.216 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.2 tp -63.93 -41.56 97.6 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.356 -0.84 . . . . 0.0 109.705 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -62.15 -43.69 98.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.353 -0.842 . . . . 0.0 109.821 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.645 ' CE2' HD11 ' A' ' 100' ' ' LEU . 65.9 t80 -64.16 -44.83 90.89 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.296 -0.878 . . . . 0.0 109.641 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 45.8 p -61.53 -41.87 97.98 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.284 -0.885 . . . . 0.0 109.877 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.1 ttm -59.63 -40.28 87.12 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.255 -0.903 . . . . 0.0 109.003 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 m -61.76 -40.65 95.89 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.454 -0.778 . . . . 0.0 109.295 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.645 HD11 ' CE2' ' A' ' 96' ' ' PHE . 78.2 mt -65.49 -38.51 89.96 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.246 -0.909 . . . . 0.0 109.579 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.813 ' CE2' HD11 ' A' ' 105' ' ' LEU . 82.5 t80 -58.87 -48.07 82.68 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.168 -0.958 . . . . 0.0 110.111 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -65.21 -44.73 87.4 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.075 -1.016 . . . . 0.0 110.46 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.37 -41.97 98.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.233 -0.917 . . . . 0.0 110.611 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -63.22 -42.11 99.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.039 -1.038 . . . . 0.0 110.24 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.813 HD11 ' CE2' ' A' ' 101' ' ' TYR . 93.2 mt -57.14 -46.48 82.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.973 -1.079 . . . . 0.0 109.227 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -60.94 -40.11 92.06 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.111 -0.993 . . . . 0.0 109.618 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.593 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.0 mt-30 -64.28 -39.08 93.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.239 -0.913 . . . . 0.0 110.05 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.432 HD13 ' CE2' ' A' ' 157' ' ' TYR . 91.4 mt -64.22 -37.46 87.56 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.86 -1.15 . . . . 0.0 109.816 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -77.07 -53.57 7.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.277 -0.889 . . . . 0.0 110.874 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -98.65 -22.8 15.74 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.222 -0.924 . . . . 0.0 110.87 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -90.04 152.13 22.06 Favored Glycine 0 N--CA 1.492 2.405 0 C-N-CA 119.581 -1.295 . . . . 0.0 110.324 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -71.22 154.47 61.71 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.809 2.339 . . . . 0.0 111.999 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.558 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 15.8 m-90 -89.66 124.09 34.28 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.159 -0.963 . . . . 0.0 109.476 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.0 m-20 -134.62 165.12 25.97 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.29 -0.881 . . . . 0.0 109.587 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.413 ' H ' HG13 ' A' ' 115' ' ' VAL . 2.9 m -64.03 -31.3 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.375 -0.828 . . . . 0.0 109.237 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 70.0 mtm -58.87 -37.82 77.41 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.393 -0.817 . . . . 0.0 109.516 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.2 -38.62 89.86 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.112 -0.993 . . . . 0.0 109.042 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.41 -40.86 95.95 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.311 -0.868 . . . . 0.0 109.075 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.651 ' NH2' ' NH1' ' A' ' 7' ' ' ARG . 41.5 mtp180 -61.69 -39.69 92.33 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.427 -0.795 . . . . 0.0 109.432 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 83.4 p -64.49 -35.23 80.28 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.313 -0.867 . . . . 0.0 109.522 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.415 HD12 HD13 ' A' ' 158' ' ' LEU . 96.3 mt -65.93 -41.61 91.12 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.307 -0.87 . . . . 0.0 109.504 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -60.98 -41.77 97.05 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.081 -1.012 . . . . 0.0 109.196 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.7 m -68.65 -44.02 75.0 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.237 -0.915 . . . . 0.0 109.684 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 79.2 m -59.93 -47.24 86.58 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.216 -0.928 . . . . 0.0 109.87 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.57 -37.37 74.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 121.149 -0.969 . . . . 0.0 109.229 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.55 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.2 m-20 -61.09 -40.75 94.9 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.349 -0.844 . . . . 0.0 109.585 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.71 -42.0 99.43 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.201 -0.937 . . . . 0.0 109.478 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -72.18 -43.18 64.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.299 -0.875 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.0 p -69.36 -37.62 77.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.186 -0.946 . . . . 0.0 110.233 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.66 ' SG ' ' CD1' ' A' ' 30' ' ' TYR . 76.0 m -68.87 -50.35 50.53 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.051 -1.031 . . . . 0.0 110.026 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 79.9 mt -69.05 -48.75 67.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.37 0 O-C-N 121.221 -0.924 . . . . 0.0 109.799 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.667 HD21 HE22 ' A' ' 148' ' ' GLN . 43.3 tp -60.67 -41.24 94.68 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.378 -0.826 . . . . 0.0 110.005 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -60.33 -49.14 78.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.213 -0.93 . . . . 0.0 110.148 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.7 tp -63.73 -43.16 97.32 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.079 -1.013 . . . . 0.0 109.808 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.524 ' CH2' ' OE2' ' A' ' 87' ' ' GLU . 97.3 m95 -86.87 -3.1 59.03 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.252 -0.905 . . . . 0.0 110.307 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.4 OUTLIER -51.97 -34.86 44.22 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.109 -0.994 . . . . 0.0 110.217 -179.247 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.19 -27.11 68.74 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.065 -1.022 . . . . 0.0 109.083 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -90.83 -0.97 57.87 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.376 -0.827 . . . . 0.0 110.132 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.7 mm -104.12 142.71 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.172 -0.955 . . . . 0.0 109.56 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 54.4 p -77.8 155.42 31.12 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.27 -0.893 . . . . 0.0 108.867 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -54.4 -44.34 72.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.104 -0.997 . . . . 0.0 109.789 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.0 m -70.24 -43.12 71.23 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.97 -1.081 . . . . 0.0 109.388 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 50.1 m -58.74 -38.27 78.03 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.13 -0.981 . . . . 0.0 108.506 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.73 -38.61 91.58 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -55.74 -42.72 75.8 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.439 -0.788 . . . . 0.0 109.459 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 86.0 p -65.16 -45.46 84.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.283 -0.886 . . . . 0.0 109.462 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 49.9 mt -67.07 -41.42 86.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.221 -0.925 . . . . 0.0 108.935 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.667 HE22 HD21 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -64.62 -34.89 79.34 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.016 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -58.85 -44.8 91.09 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.395 -0.816 . . . . 0.0 108.844 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -60.21 -41.46 93.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.173 -0.954 . . . . 0.0 108.663 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 148' ' ' GLN . 88.1 mt -60.7 -41.84 89.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.531 -0.731 . . . . 0.0 109.034 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -59.14 -38.04 78.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.848 . . . . 0.0 109.256 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.39 -43.83 98.2 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.151 -0.968 . . . . 0.0 109.385 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 74.7 m -66.43 -50.98 61.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.137 -0.977 . . . . 0.0 109.108 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -64.38 -37.21 86.7 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.359 -0.838 . . . . 0.0 109.63 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 12.2 mt -58.3 -47.5 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.236 -0.915 . . . . 0.0 110.091 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.558 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 69.1 t80 -62.84 -40.63 98.03 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.415 HD13 HD12 ' A' ' 121' ' ' LEU . 47.5 tp -59.96 -41.16 91.3 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.717 -0.615 . . . . 0.0 109.634 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.3 t -63.27 -42.31 99.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.231 -0.918 . . . . 0.0 109.98 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.4 -39.59 91.3 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.121 -0.987 . . . . 0.0 109.487 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.5 HD11 ' CE2' ' A' ' 157' ' ' TYR . 9.6 mp -66.26 -35.66 80.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.077 -1.014 . . . . 0.0 109.148 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.42 81.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.276 -0.89 . . . . 0.0 109.097 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -81.42 -12.59 58.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.282 -0.886 . . . . 0.0 109.114 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.56 -2.29 70.18 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -94.81 140.63 29.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.266 -1.138 . . . . 0.0 109.646 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 37.8 mm . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.495 -0.753 . . . . 0.0 109.39 179.618 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.39 -41.13 93.18 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.246 -0.909 . . . . 0.0 108.943 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -62.55 -40.03 95.5 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.0 109.267 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 195' ' ' LEU . . . . . 0.44 ' CD1' HD22 ' A' ' 53' ' ' LEU . 39.4 tp -60.11 -39.52 86.47 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.381 -0.824 . . . . 0.0 109.374 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.86 89.64 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.187 -0.946 . . . . 0.0 109.138 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.15 -35.35 80.82 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.285 -0.885 . . . . 0.0 109.199 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . 1.0 ' HE ' HD21 ' A' ' 53' ' ' LEU . 68.0 mtp85 -62.28 -41.8 98.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.875 . . . . 0.0 109.341 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 199' ' ' LEU . . . . . 0.848 HD22 ' CG2' ' A' ' 32' ' ' VAL . 35.8 tp -62.93 -45.18 93.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.205 -0.934 . . . . 0.0 109.129 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -64.59 -39.7 94.19 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.506 -0.746 . . . . 0.0 109.555 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -68.22 -42.16 80.2 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.231 -0.918 . . . . 0.0 109.239 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 202' ' ' LEU . . . . . 0.491 ' CD2' HG21 ' A' ' 56' ' ' ILE . 17.7 tp -62.32 -37.51 85.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.284 -0.885 . . . . 0.0 109.228 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -87.85 -7.91 56.58 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.334 -0.854 . . . . 0.0 109.516 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 CA-C-O 117.942 -1.477 . . . . 0.0 109.571 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.42 88.85 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.163 -0.961 . . . . 0.0 109.078 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -63.6 -37.41 87.21 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.237 -0.915 . . . . 0.0 109.024 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -56.24 -42.65 77.67 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.782 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.9 -39.98 95.44 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.57 97.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.341 -0.849 . . . . 0.0 109.202 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.575 ' O ' HG23 ' A' ' 11' ' ' THR . 10.7 tpt180 -60.33 -38.2 83.01 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.191 -0.943 . . . . 0.0 109.066 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.69 -39.8 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.343 -0.848 . . . . 0.0 109.053 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.48 -38.87 81.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.119 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.21 95.2 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.202 -0.999 . . . . 0.0 108.562 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 7' ' ' ARG . 3.7 p -68.18 -34.18 75.81 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.67 -43.51 89.89 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.386 -0.821 . . . . 0.0 108.875 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -62.58 -43.35 99.03 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -61.24 -40.48 94.22 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.353 -0.842 . . . . 0.0 109.126 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.7 -41.25 97.34 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.337 -0.852 . . . . 0.0 109.031 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.486 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 21.5 t70 -58.83 -38.38 78.54 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.355 -0.841 . . . . 0.0 108.828 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -59.87 -30.36 68.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.406 -0.809 . . . . 0.0 108.826 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 18' ' ' VAL . 58.9 t -83.85 -9.27 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.438 -0.789 . . . . 0.0 109.491 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.54 16.56 56.71 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.551 HD13 ' CZ ' ' A' ' 96' ' ' PHE . 67.4 mt -95.85 44.95 1.08 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.306 -1.114 . . . . 0.0 109.151 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.34 -34.66 54.44 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.021 -1.231 . . . . 0.0 110.021 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 mm -59.77 -48.72 86.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.026 -1.279 . . . . 0.0 109.394 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.7 mm -63.61 -43.36 98.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.307 -0.87 . . . . 0.0 108.895 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.565 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.9 -38.43 94.08 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.751 -1.339 . . . . 0.0 109.751 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.846 ' CE2' HD11 ' A' ' 29' ' ' LEU . 71.2 t80 -63.21 -47.54 82.09 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.043 -1.269 . . . . 0.0 110.713 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 44.6 t80 -60.84 -46.07 92.01 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.119 -0.988 . . . . 0.0 111.111 -178.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.565 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.9 pp -66.32 -34.06 77.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.665 -1.272 . . . . 0.0 110.131 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.494 ' N ' HD12 ' A' ' 27' ' ' LEU . 92.3 mt-30 -59.93 -39.99 87.38 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.69 -1.256 . . . . 0.0 108.071 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.846 HD11 ' CE2' ' A' ' 25' ' ' TYR . 87.6 mt -61.83 -38.15 87.1 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.486 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 85.6 t80 -66.89 -35.76 80.74 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.452 -0.78 . . . . 0.0 109.235 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.69 92.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.315 -0.865 . . . . 0.0 110.211 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.428 HG21 HD22 ' B' ' 199' ' ' LEU . 1.9 p -65.75 -42.4 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.841 -1.162 . . . . 0.0 108.915 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.67 -34.83 76.42 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.894 -1.129 . . . . 0.0 108.823 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.782 HD23 ' HB2' ' A' ' 5' ' ' ALA . 24.2 tp -64.56 -45.1 88.5 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.305 -0.872 . . . . 0.0 109.977 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.59 -46.47 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.102 -0.999 . . . . 0.0 110.356 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.1 mp -62.95 -32.52 73.86 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.361 -0.837 . . . . 0.0 109.855 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.9 m -71.25 -26.37 62.87 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.153 -0.967 . . . . 0.0 109.699 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -67.81 149.94 49.25 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.166 -0.959 . . . . 0.0 110.037 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.06 151.81 14.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.405 -0.81 . . . . 0.0 108.997 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -56.45 137.16 53.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.174 -0.954 . . . . 0.0 109.506 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -122.38 170.23 10.16 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.408 0.623 . . . . 0.0 109.8 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.7 p -58.24 171.23 0.59 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.387 -0.821 . . . . 0.0 109.896 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.35 -27.3 55.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.545 -0.722 . . . . 0.0 110.774 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.09 -41.61 48.57 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.898 -1.126 . . . . 0.0 109.252 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.566 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -63.57 -37.62 87.99 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.212 -0.93 . . . . 0.0 108.649 179.024 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.0 m -59.38 -40.14 85.59 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.38 -0.825 . . . . 0.0 109.103 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.57 98.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.3 -0.875 . . . . 0.0 108.648 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.76 -36.28 83.37 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.352 -0.842 . . . . 0.0 109.048 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.57 97.23 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.301 -0.874 . . . . 0.0 108.857 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.2 m -61.11 -42.85 99.28 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.32 -0.863 . . . . 0.0 108.962 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.4 -40.06 95.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.255 -0.903 . . . . 0.0 108.979 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.1 tp -59.14 -41.62 88.73 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.21 -0.931 . . . . 0.0 109.216 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.728 HD22 HD11 ' B' ' 195' ' ' LEU . 37.2 tp -60.59 -40.72 92.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.28 -0.888 . . . . 0.0 108.753 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -60.25 -39.68 87.6 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.46 -0.775 . . . . 0.0 108.932 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.1 m -60.38 -42.3 95.56 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.633 -0.667 . . . . 0.0 109.7 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.62 -52.58 58.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.104 -0.998 . . . . 0.0 109.024 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.63 -36.64 84.48 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.62 -33.47 75.73 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -59.35 -54.2 49.49 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.252 -0.905 . . . . 0.0 109.313 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -62.28 -42.84 99.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.171 -0.955 . . . . 0.0 109.388 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -82.97 -2.35 54.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.371 -0.83 . . . . 0.0 110.132 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.596 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.39 -35.49 19.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.115 -0.99 . . . . 0.0 110.008 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.633 HD11 ' SD ' ' A' ' 79' ' ' MET . 86.4 mt -68.74 -40.18 81.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.106 -0.996 . . . . 0.0 109.663 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.24 -5.9 83.09 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.105 -1.598 . . . . 0.0 109.105 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.68 -1.68 85.63 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.69 -46.97 80.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.033 -1.275 . . . . 0.0 109.748 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.3 m -67.57 -33.19 74.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.236 -0.915 . . . . 0.0 108.997 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.617 ' OE2' HD21 ' A' ' 76' ' ' LEU . 96.9 mt-10 -61.21 -28.73 69.36 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.565 -0.709 . . . . 0.0 109.933 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -37.15 -35.0 0.09 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.497 -0.752 . . . . 0.0 109.953 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' GLU . 77.8 mm-40 -116.0 132.19 56.72 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.395 -0.815 . . . . 0.0 109.11 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 51.87 47.74 24.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.099 -1.0 . . . . 0.0 109.197 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -58.84 -35.3 72.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.247 -0.908 . . . . 0.0 110.183 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.481 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 91.1 m-20 -62.15 -43.84 97.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.087 -1.008 . . . . 0.0 110.166 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -65.84 -42.72 90.17 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.221 -0.924 . . . . 0.0 110.556 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -61.4 -45.4 94.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.044 -1.035 . . . . 0.0 109.948 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.617 HD21 ' OE2' ' A' ' 68' ' ' GLU . 86.4 mt -68.15 -36.91 80.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 109.684 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 67.0 m170 -59.01 -45.2 91.28 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.22 -0.925 . . . . 0.0 110.266 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.0 t -67.98 -50.31 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 110.143 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.633 ' SD ' HD11 ' A' ' 63' ' ' ILE . 88.5 mtp -68.45 -46.74 69.0 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.096 -1.003 . . . . 0.0 110.387 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.583 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 54.2 t-20 -65.55 -42.49 91.82 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 110.825 -178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.565 HG22 ' HD2' ' A' ' 88' ' ' LYS . 55.1 m -70.77 -49.26 48.63 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.147 -0.97 . . . . 0.0 111.86 -178.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.2 mt -72.02 -34.14 68.6 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.875 -1.141 . . . . 0.0 111.436 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.518 HG23 ' CG ' ' A' ' 25' ' ' TYR . 89.9 mt -77.71 -35.5 21.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 120.905 -1.122 . . . . 0.0 111.008 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.583 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 79.9 m80 -90.8 -28.32 18.29 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.981 -1.075 . . . . 0.0 111.116 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.419 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 62.2 t0 -88.38 104.52 16.85 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.762 -1.211 . . . . 0.0 109.92 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -62.28 -35.09 77.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.259 -0.901 . . . . 0.0 110.423 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.24 -47.37 85.59 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.982 -1.074 . . . . 0.0 109.187 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.565 ' HD2' HG22 ' A' ' 81' ' ' THR . 49.6 mttp -70.91 -33.74 70.85 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.325 -0.86 . . . . 0.0 109.031 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.33 -45.5 69.32 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.375 -0.828 . . . . 0.0 109.845 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' A' ' 131' ' ' ILE . 15.4 ttpt -62.69 -49.06 76.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.181 -0.949 . . . . 0.0 109.801 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.804 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -68.56 -45.41 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.266 -0.896 . . . . 0.0 109.198 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.804 ' N ' HD12 ' A' ' 91' ' ' ILE . 62.5 t80 -62.35 -45.32 93.71 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.194 -0.941 . . . . 0.0 108.629 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CD1' ' A' ' 26' ' ' TYR . 63.8 ttp -70.06 -40.88 74.8 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.472 -0.767 . . . . 0.0 109.633 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.4 tp -61.9 -41.79 98.32 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.058 -1.026 . . . . 0.0 109.609 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -62.61 -47.99 81.38 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.164 -0.96 . . . . 0.0 109.485 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.551 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 65.7 t80 -69.71 -46.05 66.86 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.33 -0.856 . . . . 0.0 109.313 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.635 HG23 HD23 ' A' ' 127' ' ' LEU . 28.5 m -58.04 -42.58 85.69 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.452 -0.78 . . . . 0.0 109.553 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.9 ttm -62.89 -41.67 99.5 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.239 -0.913 . . . . 0.0 109.2 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.1 m -64.53 -37.93 89.24 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.387 -0.821 . . . . 0.0 109.677 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.9 tp -62.27 -41.45 98.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.25 -0.906 . . . . 0.0 109.823 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.606 ' CZ ' ' SG ' ' A' ' 154' ' ' CYS . 76.8 t80 -65.44 -46.47 79.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.341 -0.849 . . . . 0.0 110.146 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -61.3 -45.72 93.31 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.155 -0.965 . . . . 0.0 109.908 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.41 -44.8 86.31 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.215 -0.928 . . . . 0.0 109.024 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.663 ' NZ ' ' SG ' ' A' ' 124' ' ' CYS . 36.1 ttmt -63.27 -37.99 89.43 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.36 -0.837 . . . . 0.0 108.784 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.2 tp -55.91 -44.77 78.6 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -62.61 -38.04 88.63 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.246 -0.909 . . . . 0.0 108.784 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.6 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.7 mm-40 -60.28 -38.6 84.09 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.399 -0.813 . . . . 0.0 109.303 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.732 HD13 ' CE2' ' A' ' 157' ' ' TYR . 62.6 mt -64.81 -37.82 88.9 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.927 -1.108 . . . . 0.0 109.023 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -75.96 -52.8 9.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.392 -0.818 . . . . 0.0 110.844 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -92.76 -22.67 19.22 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.28 -0.888 . . . . 0.0 110.719 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -94.1 155.27 21.84 Favored Glycine 0 N--CA 1.493 2.478 0 C-N-CA 119.576 -1.297 . . . . 0.0 110.09 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -66.72 151.21 83.02 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.915 2.41 . . . . 0.0 111.941 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.868 ' HE1' ' HH ' ' A' ' 157' ' ' TYR . 20.2 m-90 -96.54 123.84 40.33 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.239 -0.913 . . . . 0.0 109.674 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 89.3 m-20 -135.03 171.86 13.83 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.421 -0.799 . . . . 0.0 109.33 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -63.75 -32.49 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.244 -0.91 . . . . 0.0 109.522 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.41 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 70.2 mtm -59.88 -38.27 81.73 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.294 -0.879 . . . . 0.0 109.385 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.5 mm? -65.35 -38.51 90.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.166 -0.958 . . . . 0.0 109.104 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -58.78 -42.95 90.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.914 . . . . 0.0 109.148 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -63.12 -39.99 96.31 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.325 -0.859 . . . . 0.0 109.522 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.541 ' HB2' ' HZ3' ' A' ' 104' ' ' LYS . 78.6 p -65.1 -35.31 80.72 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.276 -0.89 . . . . 0.0 109.618 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 121' ' ' LEU . 96.1 mt -65.85 -41.23 91.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.295 -0.878 . . . . 0.0 109.649 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.645 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 84.5 m95 -63.02 -40.96 99.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.074 -1.017 . . . . 0.0 109.613 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 74.4 m -69.23 -43.79 73.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 0.0 110.128 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.663 ' SG ' ' NZ ' ' A' ' 104' ' ' LYS . 67.5 m -65.13 -49.95 67.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.186 -0.946 . . . . 0.0 110.223 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.433 HG23 HG23 ' A' ' 151' ' ' ILE . 95.9 mt -60.77 -44.08 96.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.085 -1.01 . . . . 0.0 109.681 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.427 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.2 m-20 -60.69 -38.59 85.46 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.221 -0.924 . . . . 0.0 109.388 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.635 HD23 HG23 ' A' ' 97' ' ' THR . 38.8 tp -61.28 -42.53 98.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.406 -0.809 . . . . 0.0 109.584 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -66.18 -43.47 86.74 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.234 -0.916 . . . . 0.0 109.031 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 t -61.56 -36.77 81.55 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.343 -0.848 . . . . 0.0 109.246 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.486 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 73.3 m -60.97 -43.77 98.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.303 -0.873 . . . . 0.0 109.235 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.6 HG23 ' HG3' ' A' ' 90' ' ' LYS . 92.5 mt -59.39 -50.41 79.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 121.255 -0.903 . . . . 0.0 110.008 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.698 HD23 HE22 ' A' ' 148' ' ' GLN . 8.8 mp -67.45 -37.08 82.43 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.358 -0.838 . . . . 0.0 110.209 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -59.21 -50.16 75.09 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.192 -0.943 . . . . 0.0 110.525 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.8 tp -69.56 -43.98 71.81 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.063 -1.023 . . . . 0.0 109.702 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.42 ' HA ' HD22 ' A' ' 138' ' ' ASN . 96.8 m95 -87.06 4.57 41.51 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.409 -0.807 . . . . 0.0 110.04 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.9 OUTLIER -49.61 -39.91 37.2 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.238 -0.914 . . . . 0.0 109.627 -179.562 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.64 -26.14 66.92 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.16 -0.962 . . . . 0.0 110.149 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.42 HD22 ' HA ' ' A' ' 135' ' ' TRP . 55.1 m-80 -89.12 -4.98 58.12 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.032 -1.043 . . . . 0.0 110.639 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.6 mt -112.87 145.62 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.215 -0.928 . . . . 0.0 109.531 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 54.8 p -77.81 154.98 31.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.337 -0.852 . . . . 0.0 109.37 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.25 -39.8 80.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.282 -0.886 . . . . 0.0 109.881 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.0 m -70.57 -45.35 65.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.852 -1.155 . . . . 0.0 109.759 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.6 m -63.35 -47.68 81.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.174 -0.953 . . . . 0.0 109.461 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.426 HG21 ' NZ ' ' A' ' 136' ' ' LYS . 0.6 OUTLIER -61.89 -38.73 89.44 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.27 -0.894 . . . . 0.0 108.714 179.563 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . 0.479 ' C ' HD22 ' A' ' 145' ' ' ASN . 0.2 OUTLIER -55.57 -43.62 76.08 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.307 -0.871 . . . . 0.0 109.293 179.73 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.2 m -60.95 -46.69 89.7 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.22 -0.925 . . . . 0.0 109.297 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' ' 147' ' ' LEU . 6.6 mp -61.77 -38.52 88.35 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.698 HE22 HD23 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -61.66 -36.58 81.22 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.364 -0.835 . . . . 0.0 108.813 179.172 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -60.79 -39.9 90.6 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.23 -0.919 . . . . 0.0 109.068 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -60.92 -40.51 93.45 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.016 -1.052 . . . . 0.0 108.267 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.433 HG23 HG23 ' A' ' 125' ' ' ILE . 88.9 mt -62.01 -37.83 79.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.439 ' O ' HD12 ' A' ' 156' ' ' ILE . 26.3 mmtt -57.67 -41.07 80.79 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -58.3 -41.89 85.43 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . 0.606 ' SG ' ' CZ ' ' A' ' 101' ' ' TYR . 55.8 m -65.49 -50.38 65.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.446 -0.784 . . . . 0.0 109.165 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -62.65 -37.65 87.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.252 -0.905 . . . . 0.0 109.55 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.439 HD12 ' O ' ' A' ' 152' ' ' LYS . 1.9 mt -58.97 -46.46 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.272 -0.892 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.868 ' HH ' ' HE1' ' A' ' 113' ' ' TRP . 61.0 t80 -62.59 -40.06 95.69 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.645 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 18.4 tp -59.81 -40.9 89.97 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 121.622 -0.674 . . . . 0.0 109.347 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.0 t -60.91 -41.13 95.52 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.305 -0.872 . . . . 0.0 109.39 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -61.22 -39.88 91.91 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.178 -0.951 . . . . 0.0 108.853 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 72.8 mt -64.78 -34.58 78.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.242 -0.911 . . . . 0.0 108.968 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.11 -36.57 84.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.422 -0.799 . . . . 0.0 109.537 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -81.22 -12.52 59.12 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.116 -0.99 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 87.67 -5.26 85.24 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -96.07 120.56 36.57 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.142 -1.21 . . . . 0.0 109.038 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.747 HD11 ' CE1' ' A' ' 157' ' ' TYR . 9.7 tp . . . . . 0 N--CA 1.488 1.449 0 O-C-N 120.973 -1.079 . . . . 0.0 110.289 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.76 -41.6 95.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.246 -0.909 . . . . 0.0 109.114 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -62.34 -43.63 98.38 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.343 -0.848 . . . . 0.0 109.243 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 195' ' ' LEU . . . . . 0.728 HD11 HD22 ' A' ' 53' ' ' LEU . 35.8 tp -61.28 -41.09 96.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.336 -0.852 . . . . 0.0 109.451 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.06 88.24 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.243 -0.911 . . . . 0.0 109.312 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -65.27 -35.33 80.7 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.207 -0.933 . . . . 0.0 109.196 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -60.21 -43.6 95.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.311 -0.868 . . . . 0.0 109.258 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 199' ' ' LEU . . . . . 0.428 HD22 HG21 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -63.85 -41.15 97.87 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.214 -0.929 . . . . 0.0 109.407 179.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -59.08 -38.55 79.73 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.282 -0.886 . . . . 0.0 109.268 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.39 88.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.255 -0.903 . . . . 0.0 108.917 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.53 -38.8 85.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.39 -0.819 . . . . 0.0 109.273 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -87.66 -8.88 55.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.375 -0.828 . . . . 0.0 109.408 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 CA-C-O 118.045 -1.42 . . . . 0.0 109.587 179.843 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.44 ' C ' ' OE2' ' A' ' 38' ' ' GLU . 64.9 mtt . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.334 0.588 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.561 ' N ' ' OE2' ' A' ' 38' ' ' GLU . . . -58.82 -38.44 78.66 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.126 -0.984 . . . . 0.0 109.176 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.2 p -63.91 -37.97 89.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.114 -0.991 . . . . 0.0 109.305 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.36 -42.06 90.72 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 1.027 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -65.33 -39.66 92.68 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.68 -45.19 95.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.419 -0.801 . . . . 0.0 109.567 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.646 ' NH2' ' SG ' ' A' ' 123' ' ' CYS . 0.1 OUTLIER -60.38 -39.91 88.96 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.229 -0.92 . . . . 0.0 108.719 179.776 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.577 ' CG1' HD13 ' A' ' 27' ' ' LEU . 54.9 t -63.57 -38.43 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.477 -0.764 . . . . 0.0 109.625 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.71 -40.26 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.131 -0.98 . . . . 0.0 108.688 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.23 -42.92 87.97 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.337 -0.852 . . . . 0.0 109.054 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.77 -33.76 75.46 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.214 -0.929 . . . . 0.0 108.734 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.61 95.39 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.218 -0.926 . . . . 0.0 108.793 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -61.7 -39.91 93.14 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -59.06 -41.36 87.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.426 -0.796 . . . . 0.0 109.303 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.98 -40.04 96.55 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.344 -0.848 . . . . 0.0 109.557 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -58.34 -39.54 79.74 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.084 -1.01 . . . . 0.0 108.562 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -61.88 -29.66 70.35 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.494 -0.754 . . . . 0.0 109.02 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -84.01 -11.04 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.483 -0.761 . . . . 0.0 109.541 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.68 14.95 58.97 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.919 -1.273 . . . . 0.0 109.919 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 3.9 mm? -95.44 54.62 1.62 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.215 -1.167 . . . . 0.0 108.975 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.98 -30.65 66.94 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.5 mm -58.44 -48.85 84.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 121.117 -1.225 . . . . 0.0 109.803 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.0 mm -63.3 -42.16 95.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.23 -0.919 . . . . 0.0 108.868 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.23 -42.67 97.36 Favored Glycine 0 N--CA 1.487 2.036 0 N-CA-C 109.866 -1.294 . . . . 0.0 109.866 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.686 ' CE2' HD11 ' A' ' 29' ' ' LEU . 69.2 t80 -60.85 -48.45 81.75 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.945 -1.327 . . . . 0.0 110.596 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 48.2 t80 -67.25 -45.21 77.35 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.956 -1.09 . . . . 0.0 110.551 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.717 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -68.79 -36.47 78.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.975 -1.078 . . . . 0.0 110.408 -178.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.457 ' NE2' HG22 ' A' ' 55' ' ' THR . 90.7 mt-30 -61.76 -40.48 95.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.684 -1.26 . . . . 0.0 108.797 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.686 HD11 ' CE2' ' A' ' 25' ' ' TYR . 79.8 mt -62.01 -39.01 90.81 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -66.44 -35.89 81.42 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.179 -0.95 . . . . 0.0 109.167 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.6 93.48 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.363 -0.835 . . . . 0.0 110.263 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.589 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -65.66 -41.91 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.824 -1.172 . . . . 0.0 109.017 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.45 -34.87 76.15 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.969 -1.082 . . . . 0.0 108.775 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.027 HD23 ' HB2' ' A' ' 5' ' ' ALA . 29.4 tp -64.33 -45.4 88.01 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.309 -0.869 . . . . 0.0 109.948 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.479 ' CG2' ' SD ' ' A' ' 45' ' ' MET . 82.5 mt -61.31 -44.65 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.243 -0.91 . . . . 0.0 110.467 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.405 ' N ' ' CD1' ' A' ' 36' ' ' LEU . 6.3 mp -62.65 -32.68 73.77 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.365 -0.834 . . . . 0.0 110.061 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.1 p -71.54 -25.71 62.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.01 -1.057 . . . . 0.0 109.748 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.561 ' OE2' ' N ' ' A' ' 2' ' ' ALA . 98.8 mt-10 -69.17 149.97 48.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.289 -0.882 . . . . 0.0 110.296 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.19 151.53 15.44 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -57.03 135.95 56.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -0.998 . . . . 0.0 109.637 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -122.36 170.97 9.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.735 -0.603 . . . . 0.0 109.53 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.9 t -56.82 171.85 0.3 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.298 -0.876 . . . . 0.0 109.813 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.99 -28.09 55.69 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.515 -0.74 . . . . 0.0 110.88 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.49 -44.44 55.88 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.689 -1.257 . . . . 0.0 109.198 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.576 ' O ' ' SD ' ' A' ' 45' ' ' MET . 7.4 tmm? -66.01 -38.06 87.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.18 -0.95 . . . . 0.0 108.751 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.9 m -59.43 -40.12 85.75 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.318 -0.864 . . . . 0.0 109.128 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.85 99.68 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.319 -0.863 . . . . 0.0 108.875 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 48' ' ' LEU . 83.1 mt -63.17 -36.92 85.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.368 -0.832 . . . . 0.0 109.242 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.52 97.66 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.266 -0.896 . . . . 0.0 109.125 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 m -61.87 -41.48 97.91 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.284 -0.885 . . . . 0.0 109.451 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.95 -42.48 99.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.24 -0.913 . . . . 0.0 109.492 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 52' ' ' LEU . 29.6 tp -59.61 -41.87 91.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.189 -0.944 . . . . 0.0 109.22 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.593 HD22 HD11 ' B' ' 195' ' ' LEU . 34.8 tp -61.69 -38.45 87.86 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.29 -0.881 . . . . 0.0 108.941 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -59.39 -40.66 87.27 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.457 HG22 ' NE2' ' A' ' 28' ' ' GLN . 45.6 m -60.57 -42.9 97.6 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.551 -0.718 . . . . 0.0 109.293 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.7 mt -62.36 -53.09 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.296 -0.877 . . . . 0.0 109.453 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -61.73 -38.88 89.55 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.216 -0.927 . . . . 0.0 108.529 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.592 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.87 -30.96 68.54 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.469 -0.769 . . . . 0.0 108.996 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -58.9 -54.41 47.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.243 -0.911 . . . . 0.0 109.538 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -63.02 -41.67 99.6 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.007 -1.058 . . . . 0.0 109.455 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -82.53 -2.79 54.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.319 -0.863 . . . . 0.0 109.9 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.6 tt0 -49.75 -35.27 21.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.241 -0.912 . . . . 0.0 109.75 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.406 HG13 ' H ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -77.64 -40.84 28.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.173 -0.954 . . . . 0.0 109.829 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.76 2.61 51.88 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.406 ' H ' HG13 ' A' ' 63' ' ' ILE . . . 95.97 -8.25 67.71 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -68.01 -45.47 73.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.272 -1.134 . . . . 0.0 109.65 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.2 t -61.37 -31.39 71.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.365 -0.834 . . . . 0.0 109.338 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.26 -31.72 67.69 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.288 -0.882 . . . . 0.0 109.167 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' GLU . . . -55.86 149.51 14.75 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.064 -1.022 . . . . 0.0 109.323 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 69' ' ' ALA . 66.3 mm-40 59.0 115.18 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.45 -0.781 . . . . 0.0 109.899 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 53.08 47.33 24.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.224 -0.922 . . . . 0.0 109.587 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.4 p -60.41 -35.42 75.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.18 -0.95 . . . . 0.0 110.175 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.06 -44.11 97.88 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.938 -1.101 . . . . 0.0 110.054 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -69.11 -43.94 73.44 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.19 -0.944 . . . . 0.0 110.765 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.8 p -64.15 -42.28 96.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.088 -1.007 . . . . 0.0 110.117 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 76' ' ' LEU . 95.3 mt -68.24 -37.67 81.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.298 -0.876 . . . . 0.0 109.84 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -61.02 -45.69 93.78 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.311 -0.868 . . . . 0.0 110.142 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.0 t -68.99 -49.56 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.053 -1.029 . . . . 0.0 110.063 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.496 ' O ' HD12 ' A' ' 83' ' ' ILE . 98.6 mmm -67.78 -46.49 71.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.162 -0.961 . . . . 0.0 110.36 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.597 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 58.3 t-20 -69.35 -46.39 67.11 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.167 -0.958 . . . . 0.0 111.634 -178.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.2 m -65.61 -49.07 70.09 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.037 -1.039 . . . . 0.0 112.071 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.6 mt -70.82 -34.04 71.3 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.912 -1.117 . . . . 0.0 111.347 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 79' ' ' MET . 84.4 mt -79.26 -42.32 23.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 120.839 -1.163 . . . . 0.0 111.332 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.597 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 66.9 m80 -74.75 -47.93 28.47 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.11 -0.994 . . . . 0.0 111.57 -178.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -83.0 112.41 19.74 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.837 -1.164 . . . . 0.0 110.237 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.84 -37.51 84.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.5 -0.75 . . . . 0.0 110.304 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.36 -41.49 93.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.144 -0.973 . . . . 0.0 109.647 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -62.82 -32.15 73.29 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.246 -0.909 . . . . 0.0 108.702 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.08 -44.87 64.85 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.368 -0.832 . . . . 0.0 110.077 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -63.42 -48.81 76.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.003 -1.061 . . . . 0.0 110.511 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.694 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -62.4 -41.16 90.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.018 -1.051 . . . . 0.0 108.596 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.694 ' N ' HD12 ' A' ' 91' ' ' ILE . 67.4 t80 -62.77 -45.6 91.91 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 79.6 mtp -68.0 -40.7 83.0 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.378 -0.826 . . . . 0.0 109.792 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 94' ' ' LEU . 34.2 tp -60.41 -40.39 90.79 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.148 -0.97 . . . . 0.0 108.771 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -62.31 -43.36 99.0 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.411 -0.806 . . . . 0.0 109.245 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.56 ' HE2' HD22 ' A' ' 100' ' ' LEU . 64.3 t80 -64.13 -42.73 96.7 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.503 -0.748 . . . . 0.0 109.595 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.1 p -61.4 -41.88 97.84 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.254 -0.904 . . . . 0.0 109.824 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 95.8 mmm -62.99 -42.59 99.88 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.19 -0.944 . . . . 0.0 109.457 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.9 p -75.31 -38.7 60.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.248 -0.908 . . . . 0.0 109.462 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.56 HD22 ' HE2' ' A' ' 96' ' ' PHE . 29.3 tp -69.01 -43.57 74.53 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.313 -0.867 . . . . 0.0 109.761 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.687 ' CE2' HD11 ' A' ' 105' ' ' LEU . 76.7 t80 -63.21 -45.43 91.73 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.304 -0.872 . . . . 0.0 109.962 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -59.79 -41.83 92.04 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.249 -0.907 . . . . 0.0 109.716 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -61.67 -41.23 97.26 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 109.674 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.582 ' NZ ' ' O ' ' A' ' 120' ' ' SER . 25.8 mttt -61.59 -41.23 97.13 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.113 -0.992 . . . . 0.0 109.933 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.687 HD11 ' CE2' ' A' ' 101' ' ' TYR . 82.4 mt -59.32 -43.2 92.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.054 -1.029 . . . . 0.0 109.089 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -63.16 -38.6 91.8 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.277 -0.89 . . . . 0.0 109.469 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.0 mt-30 -62.22 -40.01 94.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.916 . . . . 0.0 109.979 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.505 HD13 ' CE2' ' A' ' 157' ' ' TYR . 68.2 mt -65.67 -38.43 89.29 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.021 -1.05 . . . . 0.0 109.304 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -78.16 -52.98 7.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.871 . . . . 0.0 110.21 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -83.57 -23.05 32.14 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.39 -0.819 . . . . 0.0 110.503 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -105.51 155.39 16.93 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 110.209 -1.156 . . . . 0.0 110.209 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -67.78 154.12 73.95 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.868 2.379 . . . . 0.0 111.93 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.579 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 23.8 m-90 -89.83 117.31 28.57 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.264 -0.897 . . . . 0.0 109.565 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 88.1 m-20 -135.08 170.08 16.45 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.327 -0.858 . . . . 0.0 109.367 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.7 m -64.15 -32.09 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.223 -0.923 . . . . 0.0 109.526 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.9 mtm -59.52 -38.33 80.71 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.303 -0.873 . . . . 0.0 109.575 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.5 mm? -65.25 -37.92 88.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.168 -0.957 . . . . 0.0 108.957 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -59.87 -42.05 92.87 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.341 -0.849 . . . . 0.0 109.271 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -63.07 -42.28 99.63 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.306 -0.871 . . . . 0.0 109.368 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.582 ' O ' ' NZ ' ' A' ' 104' ' ' LYS . 22.6 m -62.89 -39.85 95.76 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.369 -0.832 . . . . 0.0 109.469 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.434 HD23 HD13 ' A' ' 158' ' ' LEU . 23.6 tp -61.81 -42.23 98.76 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.396 -0.815 . . . . 0.0 109.398 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -60.49 -38.26 83.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.162 -0.961 . . . . 0.0 109.165 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.646 ' SG ' ' NH2' ' A' ' 7' ' ' ARG . 74.0 m -61.8 -44.28 97.18 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.254 -0.904 . . . . 0.0 109.367 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -47.81 82.79 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.211 -0.93 . . . . 0.0 109.499 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.7 mt -60.08 -36.81 69.93 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.148 -0.97 . . . . 0.0 108.711 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.75 -40.63 88.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.306 -0.871 . . . . 0.0 109.269 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.541 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 83.5 mt -62.14 -41.6 98.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.221 -0.924 . . . . 0.0 109.138 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -68.82 -42.6 77.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.306 -0.871 . . . . 0.0 109.905 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.3 t -61.85 -42.97 99.69 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.241 -0.912 . . . . 0.0 110.487 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.541 ' SG ' ' O ' ' A' ' 127' ' ' LEU . 29.3 p -68.75 -49.65 57.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.038 -1.039 . . . . 0.0 110.487 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.515 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 85.5 mt -63.41 -50.48 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 O-C-N 120.962 -1.086 . . . . 0.0 110.393 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 136' ' ' LYS . 90.9 mt -64.68 -38.82 92.3 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -0.892 . . . . 0.0 110.342 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -59.4 -49.52 77.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.115 -0.991 . . . . 0.0 110.177 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 37.4 tp -66.0 -42.78 89.29 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.079 -1.013 . . . . 0.0 109.618 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -87.03 0.08 55.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.394 -0.816 . . . . 0.0 110.344 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.0 OUTLIER -52.73 -36.56 57.78 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.061 -1.024 . . . . 0.0 110.078 -179.297 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -62.45 -25.69 68.11 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.183 -0.948 . . . . 0.0 109.247 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -89.62 -3.66 58.17 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.306 -0.871 . . . . 0.0 109.964 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.7 mm -105.38 141.19 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.218 -0.926 . . . . 0.0 109.376 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 48.9 m -77.33 155.23 32.13 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -54.62 -43.24 72.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.961 -1.087 . . . . 0.0 109.404 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 29.8 m -70.76 -43.29 69.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.941 -1.099 . . . . 0.0 108.714 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 44.0 m -59.08 -37.84 78.07 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.433 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -62.71 -39.0 92.64 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -57.67 -41.63 81.94 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.499 -0.75 . . . . 0.0 109.226 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 18.8 t -61.91 -50.92 70.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.37 -0.831 . . . . 0.0 109.537 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 51.9 mt -64.79 -43.51 92.96 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.232 -0.917 . . . . 0.0 108.812 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.596 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -64.94 -33.32 75.75 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.094 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -60.18 -45.21 93.9 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.261 -0.9 . . . . 0.0 109.22 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -61.48 -42.6 99.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.135 -0.978 . . . . 0.0 108.619 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 148' ' ' GLN . 89.5 mt -61.2 -39.76 83.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -57.93 -40.05 79.52 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.582 ' HA ' HD12 ' A' ' 156' ' ' ILE . 74.8 t80 -58.4 -43.24 88.48 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . 0.587 ' HG ' ' HH ' ' A' ' 101' ' ' TYR . 7.2 m -62.09 -50.51 71.64 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -62.48 -33.94 75.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.333 -0.855 . . . . 0.0 109.442 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 153' ' ' TYR . 17.2 mt -58.03 -49.11 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 O-C-N 121.17 -0.956 . . . . 0.0 110.179 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.579 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 61.8 t80 -63.92 -40.14 95.79 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.05 -1.031 . . . . 0.0 108.306 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.434 HD13 HD23 ' A' ' 121' ' ' LEU . 35.9 tp -59.15 -41.47 88.44 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.675 -0.641 . . . . 0.0 109.543 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 85.6 p -64.35 -38.02 89.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.136 -0.978 . . . . 0.0 109.211 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -62.59 -39.23 93.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.148 -0.97 . . . . 0.0 109.207 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.424 HD21 ' CE2' ' A' ' 157' ' ' TYR . 57.0 mt -63.74 -36.9 85.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.079 -1.013 . . . . 0.0 108.741 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.4 -37.18 84.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.351 -0.843 . . . . 0.0 109.154 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -81.87 -10.51 59.28 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.26 -0.9 . . . . 0.0 109.375 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 90.38 2.58 73.3 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -94.61 140.73 29.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.299 -1.118 . . . . 0.0 109.717 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.415 HG23 ' OH ' ' A' ' 157' ' ' TYR . 35.3 mm . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.41 -0.806 . . . . 0.0 109.438 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 N--CA 1.485 1.293 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.49 -40.67 92.18 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.346 -0.846 . . . . 0.0 108.962 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -61.67 -40.09 93.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.407 -0.808 . . . . 0.0 109.194 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 195' ' ' LEU . . . . . 0.593 HD11 HD22 ' A' ' 53' ' ' LEU . 24.6 tp -59.43 -42.51 92.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.259 -0.9 . . . . 0.0 109.092 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.29 90.24 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.259 -0.901 . . . . 0.0 109.173 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 197' ' ' GLN . . . . . 0.458 ' HA ' ' HE ' ' B' ' 200' ' ' ARG . 49.8 tt0 -65.23 -35.83 82.26 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.202 -0.936 . . . . 0.0 109.275 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -62.53 -43.03 99.81 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.25 -0.906 . . . . 0.0 109.272 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 199' ' ' LEU . . . . . 0.589 HD22 HG21 ' A' ' 32' ' ' VAL . 4.1 tp -63.33 -45.09 92.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.287 -0.883 . . . . 0.0 109.602 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 200' ' ' ARG . . . . . 0.458 ' HE ' ' HA ' ' B' ' 197' ' ' GLN . 78.9 mtm180 -60.05 -37.22 79.19 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.144 -0.973 . . . . 0.0 109.022 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.23 80.17 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 23.6 tp -60.49 -39.18 86.76 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.431 -0.793 . . . . 0.0 108.975 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -87.48 -9.78 53.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.364 -0.835 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 CA-C-O 117.975 -1.458 . . . . 0.0 109.522 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.375 0.607 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.818 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -59.56 -36.97 77.22 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.149 -0.97 . . . . 0.0 109.071 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -63.37 -39.84 95.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.209 -0.932 . . . . 0.0 109.186 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -58.16 -44.18 87.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.102 -0.999 . . . . 0.0 108.419 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.69 93.32 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.57 92.5 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.452 -0.78 . . . . 0.0 109.106 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.417 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.33 -42.63 96.05 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.497 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.23 -39.11 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.335 -0.853 . . . . 0.0 109.439 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.85 -39.55 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.248 -0.908 . . . . 0.0 108.692 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.87 91.34 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.388 -0.82 . . . . 0.0 108.919 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -34.05 70.44 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.385 -0.822 . . . . 0.0 108.869 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.561 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -59.04 -46.89 87.08 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.226 -0.921 . . . . 0.0 108.933 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -62.46 -40.46 96.71 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -60.11 -38.73 83.87 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.492 -0.755 . . . . 0.0 109.048 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.11 -44.59 97.12 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.431 -0.793 . . . . 0.0 109.356 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -58.94 -38.93 80.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.0 109.071 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -60.51 -29.72 69.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.473 -0.767 . . . . 0.0 109.418 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 18' ' ' VAL . 63.8 t -83.67 -8.81 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.311 -0.868 . . . . 0.0 109.697 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.39 16.91 56.45 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.435 HD13 ' CE1' ' A' ' 96' ' ' PHE . 68.7 mt -95.58 50.2 1.22 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.273 -1.133 . . . . 0.0 109.026 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.94 -34.66 57.89 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.7 mm -61.63 -52.76 57.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 O-C-N 121.094 -1.239 . . . . 0.0 109.157 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.6 mm -65.64 -41.66 91.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 O-C-N 121.32 -0.862 . . . . 0.0 108.904 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.21 -38.76 93.65 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.649 ' CE1' HD11 ' A' ' 29' ' ' LEU . 59.0 t80 -65.66 -48.41 72.21 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.202 -1.175 . . . . 0.0 110.75 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 67.7 t80 -63.52 -47.37 81.92 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.036 -1.04 . . . . 0.0 110.886 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 27' ' ' LEU . 3.1 pp -68.12 -30.45 69.6 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.858 -1.151 . . . . 0.0 109.183 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.599 ' NE2' ' CD1' ' A' ' 52' ' ' LEU . 55.8 tp60 -60.1 -41.63 92.95 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.649 HD11 ' CE1' ' A' ' 25' ' ' TYR . 90.9 mt -61.09 -38.07 84.97 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.641 ' CE2' HD21 ' A' ' 34' ' ' LEU . 79.8 t80 -63.81 -38.31 90.63 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.282 -0.886 . . . . 0.0 109.538 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.09 -46.17 90.26 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.152 -0.968 . . . . 0.0 110.419 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.738 HG21 HD22 ' B' ' 199' ' ' LEU . 1.4 p -62.26 -37.1 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.786 -1.196 . . . . 0.0 108.858 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.92 -34.73 75.13 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.89 -1.131 . . . . 0.0 108.638 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.641 HD21 ' CE2' ' A' ' 30' ' ' TYR . 3.8 mm? -65.7 -42.54 91.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.258 -0.901 . . . . 0.0 109.42 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.9 -48.39 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 O-C-N 121.121 -0.987 . . . . 0.0 110.047 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.2 mp -65.97 -35.04 79.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.23 -0.918 . . . . 0.0 109.384 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -81.37 -0.9 43.37 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.913 . . . . 0.0 109.11 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.818 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 84.5 tt0 -90.29 149.7 22.23 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.39 -0.819 . . . . 0.0 109.724 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.14 150.56 17.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.389 -0.819 . . . . 0.0 109.549 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -58.4 133.08 55.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.897 . . . . 0.0 109.869 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.477 ' NH1' ' CB ' ' A' ' 2' ' ' ALA . 67.0 mtp180 -121.85 170.73 9.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.72 -0.612 . . . . 0.0 109.582 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.8 p -57.51 171.35 0.45 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.403 -0.811 . . . . 0.0 110.086 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -56.17 -27.84 55.86 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.636 -0.665 . . . . 0.0 110.878 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -52.03 -41.15 62.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.698 -1.251 . . . . 0.0 109.262 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.581 ' O ' ' SD ' ' A' ' 45' ' ' MET . 4.5 tmm? -66.85 -37.87 85.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.109 -0.995 . . . . 0.0 109.128 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.3 p -61.09 -37.65 83.48 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.26 -0.9 . . . . 0.0 109.192 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.52 -44.85 89.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.271 -0.893 . . . . 0.0 108.723 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.43 -37.22 86.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.345 -0.847 . . . . 0.0 109.105 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.14 94.21 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.129 -0.982 . . . . 0.0 108.761 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -60.88 -40.89 94.73 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.322 -0.861 . . . . 0.0 109.133 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.28 -40.81 95.51 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.267 -0.896 . . . . 0.0 109.576 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.599 ' CD1' ' NE2' ' A' ' 28' ' ' GLN . 3.8 mm? -60.47 -43.59 96.76 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.117 -0.989 . . . . 0.0 109.639 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.56 HD13 HD12 ' A' ' 56' ' ' ILE . 4.0 mm? -61.9 -39.03 90.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.065 -1.022 . . . . 0.0 109.063 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -59.92 -40.58 89.37 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.1 m -60.57 -42.33 96.43 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.6 -0.688 . . . . 0.0 109.536 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.56 HD12 HD13 ' A' ' 53' ' ' LEU . 77.7 mt -58.84 -52.01 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.108 -0.995 . . . . 0.0 108.928 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.588 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.6 mt-10 -61.73 -36.39 80.82 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -65.48 -33.41 75.86 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -58.78 -52.21 66.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 108.802 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -61.37 -38.94 88.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.245 -0.91 . . . . 0.0 108.9 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -82.14 -1.12 47.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.377 -0.827 . . . . 0.0 109.459 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.9 tt0 -48.19 -31.78 6.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.305 -0.872 . . . . 0.0 110.556 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.562 HD11 ' SD ' ' A' ' 79' ' ' MET . 84.8 mt -67.01 -41.34 87.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 120.907 -1.121 . . . . 0.0 109.539 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.9 -5.27 8.06 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.517 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 94.08 -6.58 72.66 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.71 -46.77 80.9 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.153 -1.204 . . . . 0.0 109.696 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 70' ' ' GLU . 17.6 m -65.18 -32.58 74.34 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.195 -0.941 . . . . 0.0 108.784 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.04 -28.33 68.98 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.588 -0.695 . . . . 0.0 109.669 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.34 94.23 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.904 -1.122 . . . . 0.0 110.154 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.5 mt-10 -135.14 145.36 47.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.156 -0.965 . . . . 0.0 109.996 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 48.75 42.49 19.84 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.221 -0.925 . . . . 0.0 109.166 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.7 p -63.82 -37.28 86.78 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.322 -0.861 . . . . 0.0 110.156 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.51 -42.48 98.87 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.082 -1.011 . . . . 0.0 109.87 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -66.93 -46.82 73.58 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.255 -0.903 . . . . 0.0 110.798 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.6 p -65.25 -42.69 93.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.946 -1.096 . . . . 0.0 109.872 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 95.5 mt -68.47 -38.12 80.77 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.354 -0.841 . . . . 0.0 109.956 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -59.97 -45.65 91.99 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.418 -0.801 . . . . 0.0 110.29 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.15 -50.21 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.038 -1.039 . . . . 0.0 109.999 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.562 ' SD ' HD11 ' A' ' 63' ' ' ILE . 88.2 mtp -68.61 -46.33 69.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.945 . . . . 0.0 110.618 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.694 ' ND2' ' CE1' ' A' ' 84' ' ' HIS . 18.3 t-20 -65.23 -45.26 85.34 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.197 -0.939 . . . . 0.0 111.042 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.9 m -68.42 -49.03 62.92 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.135 -0.978 . . . . 0.0 111.917 -178.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 60.8 mt -72.76 -33.89 66.64 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.851 -1.156 . . . . 0.0 111.581 -178.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.5 mt -79.04 -42.4 23.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 120.867 -1.145 . . . . 0.0 111.09 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.694 ' CE1' ' ND2' ' A' ' 80' ' ' ASN . 80.6 m80 -75.91 -48.18 22.36 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.995 -1.065 . . . . 0.0 110.854 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -82.85 106.27 14.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.853 -1.155 . . . . 0.0 109.776 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.62 -35.66 78.52 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.403 -0.811 . . . . 0.0 109.929 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.66 -43.44 93.94 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.158 -0.964 . . . . 0.0 109.745 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -62.46 -35.85 80.59 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.46 -38.93 71.24 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.181 -0.949 . . . . 0.0 109.51 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -58.48 -48.47 80.67 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.228 -0.92 . . . . 0.0 110.747 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.075 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -72.51 -37.95 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.841 -1.162 . . . . 0.0 109.117 -179.495 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 1.075 ' N ' HD13 ' A' ' 91' ' ' ILE . 59.5 t80 -62.14 -44.44 96.62 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.999 -1.063 . . . . 0.0 108.156 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 69.9 mtm -69.59 -39.28 77.4 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.511 -0.743 . . . . 0.0 109.501 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.438 ' O ' ' OG1' ' A' ' 97' ' ' THR . 34.0 tp -61.47 -41.98 98.08 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 121.179 -0.951 . . . . 0.0 109.425 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -63.22 -43.72 97.29 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.222 -0.924 . . . . 0.0 109.537 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.435 ' CE1' HD13 ' A' ' 20' ' ' LEU . 79.4 t80 -62.53 -42.96 99.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.242 -0.911 . . . . 0.0 109.662 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 93' ' ' MET . 66.2 p -58.43 -43.2 88.65 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.265 -0.897 . . . . 0.0 109.849 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 89.2 mtp -63.0 -43.52 98.56 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.21 -0.931 . . . . 0.0 109.373 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.2 p -71.74 -37.65 70.53 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.238 -0.914 . . . . 0.0 109.178 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.0 tp -64.82 -41.91 95.38 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.282 -0.886 . . . . 0.0 109.152 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.748 ' CE2' HD11 ' A' ' 105' ' ' LEU . 90.1 t80 -61.71 -43.07 99.57 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.4 -0.812 . . . . 0.0 109.811 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -58.54 -41.59 85.89 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.186 -0.947 . . . . 0.0 109.439 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.84 -40.82 96.64 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.347 -0.845 . . . . 0.0 109.621 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -61.74 -40.88 96.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.151 -0.968 . . . . 0.0 109.68 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.748 HD11 ' CE2' ' A' ' 101' ' ' TYR . 80.5 mt -58.51 -45.41 88.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.134 -0.979 . . . . 0.0 108.86 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -61.19 -38.62 87.2 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.135 -0.978 . . . . 0.0 109.613 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -62.5 -41.03 98.54 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.24 -0.912 . . . . 0.0 109.985 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.796 HD13 ' CE2' ' A' ' 157' ' ' TYR . 74.5 mt -65.41 -37.86 88.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.119 -0.988 . . . . 0.0 109.062 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -78.03 -53.04 7.87 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.568 -0.707 . . . . 0.0 110.34 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -82.89 -22.97 33.78 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.44 -0.787 . . . . 0.0 110.438 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.73 155.22 17.82 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -69.03 154.18 71.05 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.807 2.338 . . . . 0.0 111.908 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.572 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 13.8 m-90 -90.51 112.97 24.84 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.256 -0.903 . . . . 0.0 109.761 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.2 m-20 -135.14 173.42 11.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.384 -0.823 . . . . 0.0 109.183 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.458 ' H ' HG13 ' A' ' 115' ' ' VAL . 2.2 m -62.3 -33.1 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.135 -0.978 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.415 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.0 mtm -60.23 -38.03 82.13 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.325 -0.859 . . . . 0.0 109.462 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.6 mm? -64.51 -39.11 93.17 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.125 -0.985 . . . . 0.0 109.155 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -59.66 -42.13 92.16 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.228 -0.92 . . . . 0.0 109.158 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -62.43 -39.24 92.69 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.382 -0.824 . . . . 0.0 109.532 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.6 m -62.01 -40.89 97.23 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.319 -0.863 . . . . 0.0 109.86 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.523 HD12 HD13 ' A' ' 158' ' ' LEU . 78.3 mt -63.66 -41.45 98.2 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.262 -0.899 . . . . 0.0 109.457 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -60.81 -37.91 83.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.118 -0.989 . . . . 0.0 109.461 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 77.9 m -63.1 -46.11 88.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.219 -0.926 . . . . 0.0 109.691 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 80.1 m -62.65 -46.28 88.95 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.122 -0.986 . . . . 0.0 109.736 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.51 -38.08 76.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.223 -0.923 . . . . 0.0 109.112 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.561 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 89.9 m-20 -61.56 -40.8 96.04 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.355 -0.84 . . . . 0.0 109.847 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.48 -44.0 97.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.155 -0.966 . . . . 0.0 109.768 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.631 ' CD1' HD11 ' A' ' 151' ' ' ILE . 31.1 t80 -70.89 -43.04 69.18 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.274 -0.891 . . . . 0.0 109.748 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.1 p -65.46 -34.76 79.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.871 . . . . 0.0 110.053 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' A' ' 126' ' ' ASP . 73.0 m -68.45 -49.69 58.06 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.111 -0.993 . . . . 0.0 109.72 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 82.9 mt -66.93 -47.74 81.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 O-C-N 121.184 -0.948 . . . . 0.0 109.719 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.585 ' O ' ' N ' ' A' ' 136' ' ' LYS . 42.9 tp -61.82 -39.86 93.27 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.392 -0.818 . . . . 0.0 109.872 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -59.84 -49.38 77.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.162 -0.961 . . . . 0.0 109.956 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 34.2 tp -65.58 -42.24 91.96 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.184 -0.948 . . . . 0.0 109.648 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.428 ' HA ' HD22 ' A' ' 138' ' ' ASN . 96.0 m95 -86.76 -3.27 59.03 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.363 -0.835 . . . . 0.0 110.274 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.585 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -49.8 -38.94 36.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.171 -0.955 . . . . 0.0 109.787 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -64.19 -26.0 68.32 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.193 -0.942 . . . . 0.0 109.428 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.428 HD22 ' HA ' ' A' ' 135' ' ' TRP . 47.6 m-80 -89.66 -3.63 58.15 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.204 -0.935 . . . . 0.0 110.369 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.5 mm -104.92 147.3 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.101 -0.999 . . . . 0.0 109.169 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 55.2 p -77.18 155.36 32.31 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -0.908 . . . . 0.0 109.081 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -58.12 -38.59 76.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.162 -0.961 . . . . 0.0 109.835 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 41.5 m -74.13 -45.22 50.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.811 -1.18 . . . . 0.0 109.61 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 33.1 t -63.32 -45.63 90.41 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.179 -0.95 . . . . 0.0 109.784 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.579 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.8 OUTLIER -63.53 -39.06 93.43 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.002 -1.061 . . . . 0.0 108.747 179.572 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . 0.428 ' N ' ' CG2' ' A' ' 144' ' ' THR . 0.6 OUTLIER -55.73 -42.73 75.78 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.293 -0.879 . . . . 0.0 108.908 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.3 m -61.48 -42.96 99.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.301 -0.874 . . . . 0.0 109.192 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 54.5 mt -61.69 -39.12 90.32 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.609 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -62.36 -35.64 79.77 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.007 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.416 ' HE2' HD22 ' A' ' 145' ' ' ASN . 66.3 mttm -61.85 -39.75 92.93 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.292 -0.88 . . . . 0.0 109.246 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -62.15 -42.65 99.46 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.078 -1.014 . . . . 0.0 108.288 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.631 HD11 ' CD1' ' A' ' 128' ' ' PHE . 92.4 mt -65.4 -38.42 82.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -58.46 -40.86 83.8 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.581 ' HA ' HD12 ' A' ' 156' ' ' ILE . 71.5 t80 -58.55 -43.15 89.22 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . 0.668 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 28.7 m -62.03 -50.27 72.69 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -63.38 -33.45 75.57 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.402 -0.811 . . . . 0.0 109.516 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 153' ' ' TYR . 14.6 mt -57.93 -48.81 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 O-C-N 121.21 -0.931 . . . . 0.0 109.813 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.796 ' CE2' HD13 ' A' ' 108' ' ' LEU . 73.2 t80 -63.7 -42.26 98.01 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.523 HD13 HD12 ' A' ' 121' ' ' LEU . 40.6 tp -60.79 -41.34 95.41 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.722 -0.611 . . . . 0.0 109.414 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.4 t -62.81 -40.86 98.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.301 -0.875 . . . . 0.0 109.663 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -61.43 -39.06 89.39 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.108 -0.995 . . . . 0.0 109.144 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.513 HD11 ' CE2' ' A' ' 157' ' ' TYR . 8.9 mp -64.58 -35.95 82.65 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.162 -0.961 . . . . 0.0 108.85 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.18 -37.23 84.49 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.338 -0.851 . . . . 0.0 108.947 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -81.85 -10.75 59.22 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.31 -0.869 . . . . 0.0 109.266 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.45 -0.47 71.2 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.8 143.56 26.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.192 -1.181 . . . . 0.0 109.756 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 40.8 mm . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.531 -0.73 . . . . 0.0 109.348 179.516 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 N--CA 1.485 1.307 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -63.17 -39.49 94.8 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.305 -0.872 . . . . 0.0 109.105 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -60.65 -43.68 97.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.332 -0.855 . . . . 0.0 109.357 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.15 -42.38 98.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.26 -0.9 . . . . 0.0 109.127 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.93 92.25 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.258 -0.901 . . . . 0.0 109.077 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.37 -35.45 81.01 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.228 -0.92 . . . . 0.0 109.107 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . 0.588 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 59.9 ttt-85 -61.13 -43.4 98.95 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.235 -0.915 . . . . 0.0 109.131 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 199' ' ' LEU . . . . . 0.738 HD22 HG21 ' A' ' 32' ' ' VAL . 5.5 tp -61.48 -44.28 97.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.359 -0.838 . . . . 0.0 108.891 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -59.17 -37.6 77.74 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.61 -34.81 78.71 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 202' ' ' LEU . . . . . 0.55 ' CD2' HG21 ' A' ' 56' ' ' ILE . 6.7 tp -59.24 -39.3 82.32 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.453 -0.78 . . . . 0.0 108.914 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -97.02 -0.44 47.3 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.393 -0.817 . . . . 0.0 109.472 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.322 0.582 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.15 78.55 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.202 -0.936 . . . . 0.0 109.066 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -64.02 -38.39 90.89 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.257 -0.902 . . . . 0.0 109.355 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -58.82 -41.21 86.3 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.994 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.83 -39.47 94.31 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.62 95.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.393 -0.817 . . . . 0.0 109.64 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.42 ' CZ ' ' SG ' ' A' ' 123' ' ' CYS . 0.0 OUTLIER -60.43 -42.48 96.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.05 -1.031 . . . . 0.0 108.564 179.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.41 ' CG1' HD13 ' A' ' 27' ' ' LEU . 55.7 t -62.75 -36.67 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.403 -0.81 . . . . 0.0 109.224 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 5' ' ' ALA . 79.0 t -60.52 -39.29 80.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.229 -0.919 . . . . 0.0 108.643 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.5 -45.17 84.61 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.275 -0.89 . . . . 0.0 109.056 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -32.69 74.35 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.686 ' CB ' HE21 ' A' ' 28' ' ' GLN . . . -60.0 -43.29 95.28 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.336 -0.853 . . . . 0.0 108.899 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -61.46 -40.97 96.42 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.78 -39.0 83.43 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.425 -0.797 . . . . 0.0 108.908 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -61.26 -42.43 98.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.401 -0.812 . . . . 0.0 109.174 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.82 -38.73 79.31 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.253 -0.905 . . . . 0.0 108.86 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -59.93 -30.85 69.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.499 -0.751 . . . . 0.0 109.08 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 18' ' ' VAL . 65.6 t -84.1 -8.72 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.446 -0.784 . . . . 0.0 109.644 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.49 17.1 55.86 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.5 mt -95.72 48.7 1.14 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -1.052 . . . . 0.0 108.953 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.0 -27.9 62.93 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.3 mm -58.17 -54.85 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 120.871 -1.37 . . . . 0.0 109.945 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.8 mp -65.76 -35.07 74.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.093 -1.004 . . . . 0.0 109.451 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.96 -42.64 96.93 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.701 ' CE2' HD11 ' A' ' 29' ' ' LEU . 75.8 t80 -65.01 -48.77 72.73 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.034 -1.274 . . . . 0.0 110.46 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.443 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 71.5 m-85 -72.08 -41.01 67.85 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.072 -1.018 . . . . 0.0 110.798 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.743 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -67.87 -36.41 80.21 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.808 -1.183 . . . . 0.0 109.404 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.686 HE21 ' CB ' ' A' ' 12' ' ' ALA . 79.3 mm-40 -64.41 -39.72 94.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.895 -1.128 . . . . 0.0 108.924 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.701 HD11 ' CE2' ' A' ' 25' ' ' TYR . 51.1 mt -60.17 -38.43 83.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.124 -0.985 . . . . 0.0 108.358 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -65.93 -36.05 82.29 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.28 -0.887 . . . . 0.0 109.264 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.05 -46.02 92.38 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.267 -0.896 . . . . 0.0 110.231 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.541 HG21 HD22 ' B' ' 199' ' ' LEU . 1.5 p -64.7 -44.41 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 120.823 -1.173 . . . . 0.0 108.894 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -61.08 -34.66 75.27 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.98 -1.075 . . . . 0.0 108.646 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.994 HD23 ' HB2' ' A' ' 5' ' ' ALA . 37.6 tp -63.96 -44.59 92.3 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.321 -0.862 . . . . 0.0 109.809 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.28 -43.05 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.228 -0.92 . . . . 0.0 110.085 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mp -61.16 -31.94 71.67 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.35 -0.844 . . . . 0.0 109.446 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.9 p -71.52 -23.95 61.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.162 -0.961 . . . . 0.0 109.335 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.92 150.89 48.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.345 -0.847 . . . . 0.0 109.764 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.14 151.43 12.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.324 -0.86 . . . . 0.0 109.013 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -56.93 136.56 55.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.192 -0.943 . . . . 0.0 109.926 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -122.35 170.97 9.41 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.5 m -57.0 170.46 0.44 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.29 -0.881 . . . . 0.0 109.753 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -55.92 -26.17 46.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.551 -0.718 . . . . 0.0 110.842 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.25 -41.86 63.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.728 -1.232 . . . . 0.0 109.328 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.577 ' O ' ' SD ' ' A' ' 45' ' ' MET . 8.4 tmm? -66.14 -38.64 88.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.091 -1.006 . . . . 0.0 108.797 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.5 m -59.53 -40.19 86.39 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.331 -0.855 . . . . 0.0 109.306 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.45 99.62 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.361 -0.837 . . . . 0.0 108.997 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.07 -36.73 84.98 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.413 -0.804 . . . . 0.0 109.319 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.44 98.21 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.255 -0.903 . . . . 0.0 109.187 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.6 m -61.83 -41.4 97.75 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.374 -0.829 . . . . 0.0 109.443 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.6 -41.92 98.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.262 -0.899 . . . . 0.0 109.528 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.463 HD23 ' HB ' ' A' ' 32' ' ' VAL . 32.5 tp -60.21 -42.26 94.77 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.15 -0.969 . . . . 0.0 109.379 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.69 HD12 HD12 ' A' ' 56' ' ' ILE . 42.4 tp -61.4 -38.93 88.86 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.137 -0.977 . . . . 0.0 108.819 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -59.79 -39.26 84.37 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 59' ' ' PHE . 46.0 m -60.21 -41.97 94.13 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.564 -0.71 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.69 HD12 HD12 ' A' ' 53' ' ' LEU . 91.9 mt -58.56 -51.96 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.17 -0.956 . . . . 0.0 108.948 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.527 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.7 mt-10 -63.03 -36.67 84.34 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 178.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.604 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -68.56 -31.37 70.54 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' THR . 58.6 t80 -58.71 -54.05 51.48 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.182 -0.949 . . . . 0.0 109.266 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -61.44 -43.72 98.37 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.116 -0.99 . . . . 0.0 109.511 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -83.19 -1.98 54.39 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.391 -0.818 . . . . 0.0 110.422 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.604 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.7 tt0 -48.93 -35.7 15.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.028 -1.045 . . . . 0.0 110.05 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.541 HD11 ' SD ' ' A' ' 79' ' ' MET . 89.1 mt -68.97 -40.95 81.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.081 -1.012 . . . . 0.0 109.916 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.28 -5.43 72.59 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.37 -5.72 82.62 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -66.24 -47.0 75.2 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.125 -1.221 . . . . 0.0 109.903 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m -67.17 -34.23 77.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.233 -0.917 . . . . 0.0 109.192 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' ALA . 96.9 mt-10 -61.92 -29.75 70.43 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.517 -0.739 . . . . 0.0 109.835 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -40.0 -36.08 0.44 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 0.0 109.879 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -111.85 131.82 55.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.445 -0.784 . . . . 0.0 109.149 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 51.82 47.1 25.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 109.216 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 t -57.46 -39.21 75.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.866 . . . . 0.0 110.371 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.483 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 90.8 m-20 -59.71 -43.05 94.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.087 -1.008 . . . . 0.0 110.328 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -65.94 -42.02 90.55 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.133 -0.979 . . . . 0.0 110.386 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.6 p -65.2 -42.66 93.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.015 -1.053 . . . . 0.0 109.997 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 76' ' ' LEU . 96.3 mt -68.4 -37.98 80.87 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.322 -0.861 . . . . 0.0 109.833 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 65.7 m170 -60.19 -45.2 93.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.281 -0.887 . . . . 0.0 110.448 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.48 -49.8 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.167 -0.958 . . . . 0.0 110.404 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.541 ' SD ' HD11 ' A' ' 63' ' ' ILE . 88.6 mtp -68.13 -46.64 70.3 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.137 -0.977 . . . . 0.0 110.959 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.439 ' HA ' ' HD1' ' A' ' 84' ' ' HIS . 15.6 m120 -67.81 -40.24 83.87 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.978 -1.076 . . . . 0.0 111.146 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.488 HG22 ' HD2' ' A' ' 88' ' ' LYS . 90.0 m -69.22 -49.92 52.04 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.053 -1.029 . . . . 0.0 111.887 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.4 mt -74.51 -33.93 62.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.821 -1.174 . . . . 0.0 111.56 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.3 mt -77.08 -35.63 23.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 120.834 -1.166 . . . . 0.0 111.025 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.439 ' HD1' ' HA ' ' A' ' 80' ' ' ASN . 77.3 m80 -89.7 -30.89 17.76 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.869 -1.144 . . . . 0.0 111.167 -178.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -85.64 108.79 18.17 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.747 -1.22 . . . . 0.0 109.737 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -62.09 -39.22 91.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.515 -0.741 . . . . 0.0 111.175 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.69 -47.64 80.36 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.96 -1.088 . . . . 0.0 110.574 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.488 ' HD2' HG22 ' A' ' 81' ' ' THR . 69.3 mttm -63.23 -32.69 74.16 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.131 -0.981 . . . . 0.0 108.991 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB1' ' CE2' ' A' ' 26' ' ' TYR . . . -66.61 -44.9 80.83 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.332 -0.855 . . . . 0.0 110.221 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.605 ' HZ2' ' CB ' ' A' ' 135' ' ' TRP . 16.6 tttp -63.52 -48.34 77.94 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.973 -1.079 . . . . 0.0 111.215 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.085 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -65.25 -38.66 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.67 -1.269 . . . . 0.0 109.206 -178.816 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 1.085 ' N ' HD13 ' A' ' 91' ' ' ILE . 45.0 t80 -63.34 -43.46 97.65 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.6 mtp -70.42 -42.6 71.4 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.598 -0.689 . . . . 0.0 109.65 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -61.58 -39.03 89.69 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.723 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -60.85 -45.74 93.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.378 -0.826 . . . . 0.0 109.679 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.756 ' CE2' HD11 ' A' ' 100' ' ' LEU . 75.0 t80 -65.29 -47.2 77.45 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.275 -0.891 . . . . 0.0 109.824 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.1 p -60.99 -40.17 92.44 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.251 -0.906 . . . . 0.0 109.748 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.1 ttp -60.36 -40.14 89.69 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.179 -0.95 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.0 p -64.93 -36.25 83.77 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.315 -0.866 . . . . 0.0 109.654 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.756 HD11 ' CE2' ' A' ' 96' ' ' PHE . 87.4 mt -66.82 -40.3 87.99 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.152 -0.967 . . . . 0.0 109.827 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.43 ' OH ' ' CD2' ' A' ' 153' ' ' TYR . 78.1 t80 -61.42 -48.71 79.96 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.961 -1.087 . . . . 0.0 109.681 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -67.67 -45.74 74.35 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.31 -0.869 . . . . 0.0 110.519 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -65.13 -46.79 79.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.124 -0.985 . . . . 0.0 110.422 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -65.35 -37.1 86.03 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.017 -1.052 . . . . 0.0 109.312 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.7 tp -55.96 -50.51 70.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 0.0 109.499 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -62.14 -39.26 91.98 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.113 -0.992 . . . . 0.0 110.101 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.597 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.2 mt-30 -60.42 -40.48 91.17 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.146 -0.971 . . . . 0.0 109.963 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.412 ' HB3' ' HE1' ' A' ' 113' ' ' TRP . 85.0 mt -66.42 -37.79 86.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.959 -1.088 . . . . 0.0 109.41 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -75.94 -52.74 9.63 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.373 -0.83 . . . . 0.0 110.313 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -86.12 -22.88 26.85 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.362 -0.836 . . . . 0.0 110.612 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -101.45 155.18 18.98 Favored Glycine 0 N--CA 1.494 2.532 0 C-N-CA 119.666 -1.254 . . . . 0.0 110.272 -179.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -69.28 154.37 69.73 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.942 2.428 . . . . 0.0 112.054 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.422 ' CZ3' HG21 ' A' ' 166' ' ' ILE . 26.4 m-90 -92.81 123.92 36.43 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.099 -1.001 . . . . 0.0 109.631 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -134.43 164.37 27.6 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.298 -0.876 . . . . 0.0 108.979 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.419 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.2 m -62.16 -33.1 56.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.073 -1.017 . . . . 0.0 109.146 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.419 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.6 mtm -60.48 -42.86 97.13 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.386 -0.821 . . . . 0.0 109.443 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.55 -37.56 87.06 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.329 -0.857 . . . . 0.0 109.375 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.563 ' HE3' HD13 ' A' ' 161' ' ' LEU . 49.5 mttp -57.97 -44.42 87.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.285 -0.884 . . . . 0.0 109.031 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -62.67 -38.7 91.36 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.401 -0.812 . . . . 0.0 109.186 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.1 m -61.82 -40.02 93.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.346 -0.846 . . . . 0.0 109.665 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.42 -41.29 96.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.219 -0.926 . . . . 0.0 109.601 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.7 ' CE2' HD13 ' A' ' 158' ' ' LEU . 63.0 m95 -60.83 -39.5 89.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.098 -1.001 . . . . 0.0 109.583 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.42 ' SG ' ' CZ ' ' A' ' 7' ' ' ARG . 73.9 m -62.33 -43.9 97.75 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.115 -0.99 . . . . 0.0 108.909 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 75.1 m -58.96 -45.4 90.6 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.233 -0.917 . . . . 0.0 109.026 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 95.4 mt -60.61 -36.86 73.14 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 O-C-N 121.331 -0.855 . . . . 0.0 109.261 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -58.6 -41.63 86.27 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.278 -0.889 . . . . 0.0 109.014 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.445 HD12 ' N ' ' A' ' 127' ' ' LEU . 7.6 mp -63.25 -42.62 99.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.112 -0.993 . . . . 0.0 109.099 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -64.66 -42.49 95.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.15 -0.968 . . . . 0.0 109.394 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.8 p -65.71 -35.44 80.77 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.292 -0.88 . . . . 0.0 109.657 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -49.88 53.97 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.114 -0.991 . . . . 0.0 109.509 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.568 HG23 ' CE3' ' A' ' 135' ' ' TRP . 77.9 mt -66.84 -45.33 87.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.382 -0.824 . . . . 0.0 109.461 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.62 HD11 HE22 ' A' ' 148' ' ' GLN . 16.8 tp -60.71 -41.45 95.24 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.315 -0.865 . . . . 0.0 110.202 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -66.95 -49.55 65.13 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.14 -0.975 . . . . 0.0 111.088 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.65 -46.27 83.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.966 -1.084 . . . . 0.0 110.635 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.605 ' CB ' ' HZ2' ' A' ' 90' ' ' LYS . 5.0 m-90 -87.49 4.94 41.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.168 -0.957 . . . . 0.0 110.479 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -43.18 36.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.047 -1.033 . . . . 0.0 109.893 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.39 -21.71 64.68 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.213 -0.93 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.449 HD22 ' HA ' ' A' ' 135' ' ' TRP . 30.8 m-80 -89.57 -4.76 57.72 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.267 -0.895 . . . . 0.0 110.447 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.1 mt -111.72 143.86 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.88 . . . . 0.0 109.856 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.498 ' N ' ' OG ' ' A' ' 143' ' ' SER . 54.6 p -77.73 155.71 31.07 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.4 -0.812 . . . . 0.0 109.517 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.23 -43.16 87.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.21 -0.931 . . . . 0.0 109.835 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 31.0 m -69.89 -43.93 70.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.837 -1.164 . . . . 0.0 108.629 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' A' ' 140' ' ' SER . 79.9 p -60.3 -32.89 71.64 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.26 -38.81 91.47 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 178.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -56.49 -42.82 78.96 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.495 -0.753 . . . . 0.0 109.145 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.3 t -62.53 -51.11 68.71 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.431 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 52.5 mt -64.42 -40.98 96.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.285 -0.884 . . . . 0.0 108.899 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.62 HE22 HD11 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -65.75 -33.25 75.43 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.19 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.98 -45.1 93.83 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.399 -0.813 . . . . 0.0 109.135 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -62.84 -41.95 99.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.177 -0.952 . . . . 0.0 108.64 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.9 -38.55 80.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -58.35 -40.34 81.96 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.459 ' HA ' HD12 ' A' ' 156' ' ' ILE . 71.4 t80 -58.33 -43.2 88.13 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 97.7 m -64.66 -50.15 68.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.376 -0.827 . . . . 0.0 108.836 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -60.65 -36.03 77.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.291 -0.881 . . . . 0.0 108.857 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 153' ' ' TYR . 17.2 mt -58.52 -43.76 87.7 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 O-C-N 121.398 -0.814 . . . . 0.0 109.731 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.28 -43.75 97.03 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.256 -0.903 . . . . 0.0 109.489 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.7 HD13 ' CE2' ' A' ' 122' ' ' TRP . 80.9 mt -59.95 -38.94 83.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.175 -0.953 . . . . 0.0 109.627 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.0 m -63.16 -43.84 97.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.119 -0.988 . . . . 0.0 109.948 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -62.07 -39.45 92.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.124 -0.985 . . . . 0.0 109.601 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.563 HD13 ' HE3' ' A' ' 118' ' ' LYS . 99.0 mt -63.05 -36.65 84.28 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.178 -0.951 . . . . 0.0 109.083 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.11 -37.44 87.46 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.27 -0.894 . . . . 0.0 109.133 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -82.88 -7.74 59.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.253 -0.905 . . . . 0.0 109.317 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.84 5.84 73.4 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.659 -1.377 . . . . 0.0 109.659 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.56 144.81 25.28 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.269 -1.136 . . . . 0.0 109.752 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.422 HG21 ' CZ3' ' A' ' 113' ' ' TRP . 35.3 mm . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.511 -0.743 . . . . 0.0 109.383 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.485 1.306 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.69 -41.25 94.76 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.274 -0.891 . . . . 0.0 108.947 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -62.27 -40.18 95.36 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.342 -0.849 . . . . 0.0 109.313 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 195' ' ' LEU . . . . . 0.559 HD11 HD23 ' A' ' 53' ' ' LEU . 22.1 tp -58.04 -42.44 85.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.362 -0.836 . . . . 0.0 109.213 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.67 90.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.258 -0.901 . . . . 0.0 109.228 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -65.32 -35.57 81.38 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.226 -0.922 . . . . 0.0 109.251 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . 0.527 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 73.2 ttt180 -60.58 -42.82 97.44 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.254 -0.904 . . . . 0.0 109.089 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 199' ' ' LEU . . . . . 0.541 HD22 HG21 ' A' ' 32' ' ' VAL . 6.4 tp -61.86 -45.3 94.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 0.0 109.076 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -60.91 -37.08 81.0 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.334 -0.854 . . . . 0.0 109.221 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.96 -37.53 86.23 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.269 -0.895 . . . . 0.0 108.857 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 202' ' ' LEU . . . . . 0.571 ' CD2' HG21 ' A' ' 56' ' ' ILE . 9.6 tp -60.98 -38.49 86.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.356 -0.84 . . . . 0.0 109.067 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -87.59 -8.49 56.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.26 -0.9 . . . . 0.0 109.482 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 117.995 -1.447 . . . . 0.0 109.532 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mtp . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.345 0.593 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.501 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . . . -59.2 -39.88 84.02 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.135 -0.978 . . . . 0.0 109.178 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.7 p -64.03 -37.93 89.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.286 -0.884 . . . . 0.0 109.101 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -58.59 -39.35 80.12 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.936 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.53 -39.68 94.21 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.25 -42.97 96.43 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.475 -0.766 . . . . 0.0 109.379 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.426 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.44 -41.29 93.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.168 -0.958 . . . . 0.0 108.803 179.565 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.527 ' CG1' HD13 ' A' ' 27' ' ' LEU . 46.8 t -63.86 -38.16 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.402 -0.811 . . . . 0.0 109.676 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.889 HG22 HE22 ' A' ' 28' ' ' GLN . 77.8 t -60.45 -39.79 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.219 -0.926 . . . . 0.0 108.695 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.46 94.91 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.347 -0.845 . . . . 0.0 108.848 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -33.75 72.11 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.657 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -57.27 -44.96 84.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.219 -0.926 . . . . 0.0 108.65 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -64.01 -41.16 97.56 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.432 -0.792 . . . . 0.0 109.224 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -59.73 -43.56 94.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.332 -0.855 . . . . 0.0 109.767 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.89 -41.28 97.7 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.349 -0.844 . . . . 0.0 109.587 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.492 ' OD2' ' OE1' ' A' ' 62' ' ' GLU . 55.4 t0 -58.92 -37.96 77.86 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.14 -0.975 . . . . 0.0 108.887 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -60.67 -31.0 70.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.44 -0.787 . . . . 0.0 109.204 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 18' ' ' VAL . 45.9 t -84.24 -2.49 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.325 -0.859 . . . . 0.0 109.573 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.3 8.36 68.55 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.4 mt -95.86 33.62 1.65 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.508 -0.995 . . . . 0.0 109.041 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.71 -31.8 16.33 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.4 mm -58.69 -49.06 83.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 121.112 -1.228 . . . . 0.0 109.396 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.6 mm -64.45 -45.14 96.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.21 -0.932 . . . . 0.0 109.011 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.591 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.11 -36.56 89.09 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.752 ' CE2' HD11 ' A' ' 29' ' ' LEU . 69.2 t80 -64.79 -48.0 76.04 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.379 -1.071 . . . . 0.0 111.086 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.6 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 78.9 t80 -62.84 -47.43 83.44 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.968 -1.083 . . . . 0.0 111.172 -178.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.657 HD11 ' HB2' ' A' ' 12' ' ' ALA . 3.7 pp -65.19 -32.08 73.57 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.769 -1.207 . . . . 0.0 108.866 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.889 HE22 HG22 ' A' ' 9' ' ' VAL . 53.7 tp60 -60.13 -40.98 91.65 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 178.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.752 HD11 ' CE2' ' A' ' 25' ' ' TYR . 96.8 mt -60.71 -37.34 81.38 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.579 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 79.7 t80 -65.26 -36.19 83.34 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.36 -0.838 . . . . 0.0 109.094 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.96 -46.01 92.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.275 -0.89 . . . . 0.0 110.21 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -64.86 -41.96 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 120.81 -1.181 . . . . 0.0 108.861 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.41 -35.28 77.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.898 -1.126 . . . . 0.0 108.81 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.936 HD23 ' HB2' ' A' ' 5' ' ' ALA . 28.9 tp -63.86 -42.13 97.61 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.421 -0.799 . . . . 0.0 109.786 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.44 -48.1 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.17 -0.956 . . . . 0.0 109.833 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.5 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.6 mp -64.4 -34.55 78.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.363 -0.836 . . . . 0.0 109.266 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.8 m -83.55 -0.16 49.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.228 -0.92 . . . . 0.0 108.767 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -89.19 150.25 22.76 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.606 -0.684 . . . . 0.0 109.629 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.67 150.52 15.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.32 -0.863 . . . . 0.0 109.171 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -57.84 136.09 56.94 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.921 . . . . 0.0 109.967 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.501 ' NH1' ' HB3' ' A' ' 2' ' ' ALA . 76.5 mtp180 -122.54 169.9 10.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.702 -0.624 . . . . 0.0 109.421 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.2 t -58.07 171.32 0.55 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.239 -0.913 . . . . 0.0 109.901 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -56.54 -27.71 58.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.517 -0.739 . . . . 0.0 110.571 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.41 -40.13 49.22 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.745 -1.222 . . . . 0.0 109.444 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.574 ' O ' ' SD ' ' A' ' 45' ' ' MET . 10.7 tmm? -64.53 -37.32 87.14 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.177 -0.952 . . . . 0.0 109.353 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 p -60.53 -38.52 84.7 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.236 -0.915 . . . . 0.0 109.163 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.62 94.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.239 -0.913 . . . . 0.0 108.704 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.02 -35.79 81.86 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.351 -0.843 . . . . 0.0 109.211 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.73 99.45 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.216 -0.927 . . . . 0.0 109.183 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -61.27 -42.63 98.96 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.216 -0.928 . . . . 0.0 109.015 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.27 -39.12 91.88 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.244 -0.91 . . . . 0.0 108.967 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.826 HD11 ' NE2' ' A' ' 28' ' ' GLN . 30.7 tp -58.75 -41.61 86.94 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.319 -0.863 . . . . 0.0 109.121 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.461 HD22 HD11 ' B' ' 195' ' ' LEU . 32.3 tp -61.15 -41.57 96.99 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.889 . . . . 0.0 108.781 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -61.06 -39.37 89.59 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.554 ' O ' ' N ' ' A' ' 59' ' ' PHE . 44.2 m -60.17 -40.65 90.71 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.645 -0.659 . . . . 0.0 109.821 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.548 HG21 ' CD2' ' B' ' 202' ' ' LEU . 83.9 mt -60.99 -55.23 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.194 -0.942 . . . . 0.0 109.551 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.25 -39.13 92.25 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.185 -0.947 . . . . 0.0 108.631 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.7 -30.33 67.95 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 55' ' ' THR . 2.0 t80 -60.29 -54.42 45.97 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.306 -0.871 . . . . 0.0 109.347 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.76 ' NZ ' HG21 ' A' ' 83' ' ' ILE . 31.2 mttt -60.2 -45.97 91.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.135 -0.978 . . . . 0.0 109.447 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -83.56 -1.77 54.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.343 -0.848 . . . . 0.0 110.816 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.6 tt0 -48.9 -36.42 17.12 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.935 -1.103 . . . . 0.0 109.81 -178.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.614 HG21 ' HG2' ' A' ' 68' ' ' GLU . 74.3 mt -71.57 -37.62 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.062 -1.024 . . . . 0.0 109.383 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.0 -6.34 35.27 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.19 -5.4 85.19 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -67.93 -47.33 69.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.149 -1.207 . . . . 0.0 109.263 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.7 t -69.39 -42.42 75.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.585 -0.697 . . . . 0.0 109.554 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.614 ' HG2' HG21 ' A' ' 63' ' ' ILE . 78.8 mm-40 -65.23 -34.88 79.42 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.406 -0.809 . . . . 0.0 109.14 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.566 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . 11.06 -76.21 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.202 0 CA-C-O 121.4 0.619 . . . . 0.0 111.711 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.601 ' N ' ' O ' ' A' ' 68' ' ' GLU . 71.9 mm-40 -57.34 135.76 56.53 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.365 -0.834 . . . . 0.0 109.158 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 47.84 45.5 18.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.047 -1.033 . . . . 0.0 108.909 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -57.4 -39.26 75.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.407 -0.808 . . . . 0.0 110.31 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -59.63 -44.17 93.57 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.042 -1.036 . . . . 0.0 109.593 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -62.39 -40.18 95.63 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.262 -0.899 . . . . 0.0 109.324 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -60.97 -41.67 96.84 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.306 -0.871 . . . . 0.0 109.881 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.72 -38.81 89.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.151 -0.968 . . . . 0.0 108.916 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.484 ' O ' ' OG1' ' A' ' 81' ' ' THR . 24.5 t-80 -61.19 -43.51 98.76 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.407 -0.808 . . . . 0.0 109.683 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.19 -49.05 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.205 -0.934 . . . . 0.0 110.028 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.457 ' O ' HD12 ' A' ' 83' ' ' ILE . 70.9 mtm -66.95 -46.01 76.04 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.994 -1.066 . . . . 0.0 109.812 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.583 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 88.5 m-20 -70.03 -44.17 69.81 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.144 -0.973 . . . . 0.0 110.84 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 61.6 m -64.18 -49.09 73.44 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.102 -0.999 . . . . 0.0 111.852 -178.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.435 HD23 ' HG2' ' A' ' 88' ' ' LYS . 69.1 mt -71.63 -34.3 69.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.781 -1.2 . . . . 0.0 110.853 -178.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.76 HG21 ' NZ ' ' A' ' 60' ' ' LYS . 86.3 mt -79.46 -42.1 22.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 O-C-N 121.01 -1.056 . . . . 0.0 111.239 -178.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.583 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 43.0 m80 -67.97 -44.99 75.42 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.961 -1.087 . . . . 0.0 111.506 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -80.09 109.41 14.52 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.755 -1.216 . . . . 0.0 110.271 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.494 ' CG ' ' N ' ' A' ' 87' ' ' GLU . 9.9 pt20 -62.57 -41.88 99.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.6 -0.687 . . . . 0.0 110.721 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' CG ' ' A' ' 86' ' ' GLN . 77.7 mm-40 -64.54 -40.23 95.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.134 -0.979 . . . . 0.0 109.483 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.435 ' HG2' HD23 ' A' ' 82' ' ' LEU . 6.4 tptm -60.69 -30.89 70.21 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.87 -42.51 69.98 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.452 -0.78 . . . . 0.0 109.015 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -63.18 -48.77 76.98 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.992 -1.067 . . . . 0.0 110.411 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.716 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -64.15 -40.07 87.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 120.989 -1.07 . . . . 0.0 108.423 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.716 ' N ' HD12 ' A' ' 91' ' ' ILE . 62.4 t80 -66.99 -46.98 72.91 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.6 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 70.0 mtm -68.38 -38.92 81.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.368 -0.833 . . . . 0.0 109.814 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 94' ' ' LEU . 38.1 tp -60.61 -41.42 94.74 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.015 -1.053 . . . . 0.0 108.956 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -63.75 -43.47 96.35 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.349 -0.844 . . . . 0.0 109.202 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.543 ' HE2' HD22 ' A' ' 100' ' ' LEU . 67.6 t80 -63.61 -43.19 97.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.53 -0.731 . . . . 0.0 109.641 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.742 HG22 HD23 ' A' ' 127' ' ' LEU . 50.4 p -62.08 -43.82 98.0 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.234 -0.916 . . . . 0.0 109.784 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 95.9 mmm -64.46 -43.1 95.28 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.219 -0.925 . . . . 0.0 109.242 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.8 t -70.6 -42.45 70.98 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.353 -0.842 . . . . 0.0 109.656 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.559 HD23 ' SG ' ' A' ' 124' ' ' CYS . 31.6 tp -64.7 -40.45 95.39 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.368 -0.832 . . . . 0.0 109.689 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.661 ' CE2' HD11 ' A' ' 105' ' ' LEU . 80.0 t80 -63.0 -44.15 96.81 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.265 -0.897 . . . . 0.0 109.798 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -58.88 -42.1 88.7 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.328 -0.857 . . . . 0.0 109.763 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.45 -38.38 89.56 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.283 -0.886 . . . . 0.0 109.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -63.31 -42.23 99.0 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.215 -0.928 . . . . 0.0 109.668 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.661 HD11 ' CE2' ' A' ' 101' ' ' TYR . 80.9 mt -57.13 -45.68 83.32 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.092 -1.005 . . . . 0.0 109.03 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -61.01 -39.24 88.96 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.227 -0.92 . . . . 0.0 109.293 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 111' ' ' GLY . 59.2 tp60 -62.63 -41.2 98.89 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.436 -0.79 . . . . 0.0 109.821 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.945 HD13 ' CE2' ' A' ' 157' ' ' TYR . 88.8 mt -64.39 -37.6 88.08 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.009 -1.057 . . . . 0.0 109.927 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -77.85 -52.82 8.28 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.314 -0.866 . . . . 0.0 110.812 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -94.8 -22.72 17.88 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.301 -0.874 . . . . 0.0 110.72 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -94.24 153.11 20.95 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 119.514 -1.327 . . . . 0.0 110.232 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -70.34 154.23 65.62 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.844 2.363 . . . . 0.0 111.944 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.491 ' CZ2' HG21 ' A' ' 166' ' ' ILE . 23.1 m-90 -90.41 121.97 32.86 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.117 -0.989 . . . . 0.0 109.657 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.5 m-20 -134.7 164.51 27.35 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.302 -0.874 . . . . 0.0 109.348 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.405 HG13 ' H ' ' A' ' 115' ' ' VAL . 2.8 m -63.93 -31.65 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.297 -0.877 . . . . 0.0 109.108 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.8 mtm -59.41 -40.11 85.61 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.416 -0.803 . . . . 0.0 109.683 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.11 -37.92 89.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.096 -1.002 . . . . 0.0 109.237 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -61.25 -41.7 97.37 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.257 -0.902 . . . . 0.0 109.397 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -62.17 -43.01 99.78 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.314 -0.866 . . . . 0.0 109.509 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 t -63.99 -37.43 87.4 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.355 -0.841 . . . . 0.0 109.412 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -60.47 -42.5 96.35 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.378 -0.826 . . . . 0.0 109.037 -179.761 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -63.63 -40.21 96.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.135 -0.978 . . . . 0.0 109.411 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.547 ' SG ' ' N ' ' A' ' 124' ' ' CYS . 0.1 OUTLIER -65.56 -41.03 93.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.946 . . . . 0.0 109.429 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.559 ' SG ' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -62.04 -49.34 76.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.191 -0.943 . . . . 0.0 109.749 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.58 -41.71 88.9 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 O-C-N 121.09 -1.006 . . . . 0.0 109.533 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.562 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.7 m-20 -59.51 -39.55 84.2 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.286 -0.884 . . . . 0.0 109.582 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.742 HD23 HG22 ' A' ' 97' ' ' THR . 53.2 tp -62.54 -46.92 86.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.249 -0.907 . . . . 0.0 109.621 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -71.74 -43.68 65.41 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.318 -0.864 . . . . 0.0 109.699 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.594 ' OG ' ' CE1' ' A' ' 133' ' ' HIS . 11.2 t -64.84 -40.08 94.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.416 -0.803 . . . . 0.0 110.343 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.579 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 77.4 m -66.04 -49.85 66.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.081 -1.012 . . . . 0.0 110.307 -179.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.401 HG12 ' CZ ' ' A' ' 26' ' ' TYR . 73.1 mt -60.16 -46.44 94.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.11 -0.994 . . . . 0.0 109.499 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.679 HD21 HE22 ' A' ' 148' ' ' GLN . 23.0 tp -61.53 -37.45 83.8 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.509 -0.745 . . . . 0.0 109.481 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.594 ' CE1' ' OG ' ' A' ' 129' ' ' SER . 63.6 m170 -57.82 -47.99 81.03 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.299 -0.875 . . . . 0.0 110.226 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.06 -47.19 84.03 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.053 -1.029 . . . . 0.0 109.938 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.452 ' CH2' ' NE2' ' A' ' 86' ' ' GLN . 23.2 m95 -88.94 4.36 48.31 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.41 -0.806 . . . . 0.0 110.589 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 132' ' ' LEU . 1.9 tptp -52.79 -35.36 56.55 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.165 -0.959 . . . . 0.0 109.477 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -63.09 -25.7 68.49 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.166 -0.959 . . . . 0.0 109.286 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -89.55 -1.39 58.02 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.248 -0.907 . . . . 0.0 110.054 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.8 mm -102.76 139.48 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.148 -0.97 . . . . 0.0 109.535 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 53.8 p -77.86 155.45 30.99 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.329 -0.857 . . . . 0.0 108.952 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.99 -43.89 70.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.08 -1.013 . . . . 0.0 109.749 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 29.3 m -69.94 -43.5 71.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.909 -1.119 . . . . 0.0 109.439 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.8 m -58.92 -40.5 84.72 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.571 ' OG1' ' NE2' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -61.4 -38.66 87.88 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -56.7 -41.99 78.35 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.506 -0.746 . . . . 0.0 109.452 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.1 m -62.55 -51.1 68.73 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.236 -0.915 . . . . 0.0 109.591 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 147' ' ' LEU . 9.7 mp -66.21 -42.57 88.57 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.171 -0.955 . . . . 0.0 109.048 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.679 HE22 HD21 ' A' ' 132' ' ' LEU . 0.2 OUTLIER -63.01 -35.24 79.56 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.319 -0.863 . . . . 0.0 108.735 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -59.51 -43.46 93.38 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -60.34 -39.6 87.68 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.278 -0.889 . . . . 0.0 108.933 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 36.5 mm -61.29 -42.44 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.302 -0.874 . . . . 0.0 109.163 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -58.7 -37.99 77.29 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.176 -0.953 . . . . 0.0 109.111 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -60.83 -43.02 98.81 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.218 -0.926 . . . . 0.0 108.875 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . 0.655 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 33.4 m -67.57 -50.65 57.43 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.341 -0.85 . . . . 0.0 109.043 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -63.45 -35.96 82.16 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.401 -0.812 . . . . 0.0 109.532 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 10.9 mt -58.7 -48.75 84.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 O-C-N 121.27 -0.894 . . . . 0.0 110.045 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.945 ' CE2' HD13 ' A' ' 108' ' ' LEU . 68.8 t80 -63.94 -41.18 97.68 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.03 -1.044 . . . . 0.0 108.351 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 39.4 tp -59.01 -41.17 87.09 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.599 -0.688 . . . . 0.0 109.505 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.6 m -61.9 -40.96 97.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.155 -0.965 . . . . 0.0 109.187 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -61.58 -38.67 88.39 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.358 -0.839 . . . . 0.0 109.387 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.514 HD11 ' HE2' ' A' ' 157' ' ' TYR . 54.4 mt -63.03 -36.69 84.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.035 -1.041 . . . . 0.0 108.641 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.58 83.08 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.357 -0.84 . . . . 0.0 108.952 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -81.55 -11.99 58.97 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.339 -0.85 . . . . 0.0 109.371 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.14 1.13 72.95 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -94.76 141.94 28.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.275 -1.132 . . . . 0.0 109.758 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.491 HG21 ' CZ2' ' A' ' 113' ' ' TRP . 34.2 mm . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.408 -0.808 . . . . 0.0 109.321 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.485 1.318 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.94 -40.07 94.26 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.221 -0.924 . . . . 0.0 109.058 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -60.89 -43.09 98.97 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 109.44 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 195' ' ' LEU . . . . . 0.461 HD11 HD22 ' A' ' 53' ' ' LEU . 42.9 tp -60.13 -40.41 89.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.292 -0.88 . . . . 0.0 109.455 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.06 94.87 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.227 -0.92 . . . . 0.0 109.032 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -64.95 -34.93 79.6 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.351 -0.843 . . . . 0.0 109.132 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -60.2 -44.12 95.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.25 -0.906 . . . . 0.0 109.132 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 3.3 tp -62.46 -42.4 99.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.263 -0.898 . . . . 0.0 108.96 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -59.0 -36.33 74.72 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.391 -0.818 . . . . 0.0 109.047 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.27 85.96 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 202' ' ' LEU . . . . . 0.548 ' CD2' HG21 ' A' ' 56' ' ' ILE . 13.2 tp -59.97 -38.98 84.09 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.41 -0.806 . . . . 0.0 108.878 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 203' ' ' ARG . . . . . 0.427 ' HD3' HD22 ' A' ' 29' ' ' LEU . 59.9 mtm180 -87.72 -8.23 56.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.368 -0.833 . . . . 0.0 109.493 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.278 0.561 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.51 ' HB2' ' NE ' ' A' ' 41' ' ' ARG . . . -59.17 -40.45 85.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.19 -0.944 . . . . 0.0 109.206 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -63.44 -38.51 91.43 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.207 -0.933 . . . . 0.0 109.035 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -57.34 -40.04 77.15 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.16 -0.963 . . . . 0.0 108.411 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.986 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.52 -39.66 94.2 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.73 88.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.433 -0.792 . . . . 0.0 109.646 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.403 HH12 ' HD3' ' A' ' 119' ' ' ARG . 10.8 tpt180 -60.62 -39.7 89.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.066 -1.021 . . . . 0.0 109.323 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.705 ' CG1' HD13 ' A' ' 27' ' ' LEU . 56.0 t -62.01 -39.72 84.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.279 -0.888 . . . . 0.0 109.442 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.93 -41.62 89.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.167 -0.958 . . . . 0.0 108.492 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.15 80.12 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.336 -0.852 . . . . 0.0 109.056 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -35.37 80.87 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.468 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -59.64 -42.47 92.8 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.174 -0.954 . . . . 0.0 108.879 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -60.89 -39.31 88.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.341 -0.849 . . . . 0.0 108.732 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -58.06 -41.16 82.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.286 -0.884 . . . . 0.0 109.175 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -62.91 -39.62 95.09 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.331 -0.856 . . . . 0.0 109.365 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -58.22 -39.62 79.52 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.153 -0.967 . . . . 0.0 108.576 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -61.69 -31.11 71.23 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -83.98 -14.17 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.412 -0.805 . . . . 0.0 109.322 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' C ' HD22 ' A' ' 20' ' ' LEU . . . 89.41 14.99 59.29 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.512 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 3.3 mm? -95.68 54.25 1.52 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.288 -1.124 . . . . 0.0 108.89 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.01 -27.82 62.83 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.349 -1.1 . . . . 0.0 110.349 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.3 mm -58.07 -49.19 82.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.012 -1.287 . . . . 0.0 109.364 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 mm -63.53 -41.77 93.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.79 -40.87 97.24 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.721 ' CE2' HD11 ' A' ' 29' ' ' LEU . 62.8 t80 -60.62 -48.39 82.0 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.055 -1.262 . . . . 0.0 110.544 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.655 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 48.1 t80 -66.87 -46.92 73.48 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.947 -1.096 . . . . 0.0 110.873 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.715 HD12 ' C ' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -68.41 -36.44 79.11 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.061 -1.024 . . . . 0.0 110.319 -178.733 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.521 ' NE2' HG21 ' A' ' 55' ' ' THR . 82.5 mt-30 -60.94 -40.4 93.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.65 -1.281 . . . . 0.0 108.802 178.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.721 HD11 ' CE2' ' A' ' 25' ' ' TYR . 80.2 mt -62.32 -38.75 90.64 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.607 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 72.8 t80 -65.83 -35.99 82.24 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.309 -0.869 . . . . 0.0 109.227 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.54 -45.79 92.69 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.279 -0.888 . . . . 0.0 110.368 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.697 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -64.7 -41.99 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.838 -1.164 . . . . 0.0 108.936 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.93 -35.33 78.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.99 -1.069 . . . . 0.0 109.003 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.986 HD23 ' HB2' ' A' ' 5' ' ' ALA . 36.1 tp -63.43 -42.96 98.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.348 -0.845 . . . . 0.0 110.022 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.65 -48.16 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.021 -1.05 . . . . 0.0 109.821 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.517 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.0 mp -66.26 -36.48 83.11 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.255 -0.903 . . . . 0.0 109.541 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.7 p -72.81 -20.77 61.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.16 -0.963 . . . . 0.0 108.514 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.62 ' CD ' ' HE ' ' A' ' 41' ' ' ARG . 82.0 tt0 -85.43 151.31 24.09 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -55.76 150.34 12.99 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.279 -0.888 . . . . 0.0 109.44 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.512 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 47.5 p30 -58.09 136.7 57.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.319 -0.863 . . . . 0.0 110.498 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.62 ' HE ' ' CD ' ' A' ' 38' ' ' GLU . 95.8 mtt-85 -122.89 171.14 9.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.724 -0.61 . . . . 0.0 109.58 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.0 p -57.42 169.4 0.64 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.322 -0.861 . . . . 0.0 110.472 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -56.54 -24.47 47.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.773 -0.579 . . . . 0.0 111.248 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -48.5 -44.26 35.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.635 -1.291 . . . . 0.0 109.527 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -34.37 77.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.918 -1.113 . . . . 0.0 108.982 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.5 m -59.3 -41.47 89.07 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.291 -0.88 . . . . 0.0 109.113 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.67 -43.81 88.17 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.188 -0.945 . . . . 0.0 108.806 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.02 -39.32 89.31 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.41 -0.807 . . . . 0.0 109.069 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.18 90.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.367 -0.833 . . . . 0.0 109.15 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.8 m -60.76 -42.31 97.18 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.332 -0.855 . . . . 0.0 109.105 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.7 -39.73 92.51 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.219 -0.926 . . . . 0.0 109.004 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.57 -40.42 91.62 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.305 -0.872 . . . . 0.0 109.082 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.669 HD22 HD11 ' B' ' 195' ' ' LEU . 45.2 tp -60.69 -40.74 93.28 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.284 -0.885 . . . . 0.0 109.069 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -59.65 -40.42 87.62 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.379 -0.826 . . . . 0.0 108.877 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.521 HG21 ' NE2' ' A' ' 28' ' ' GLN . 41.3 m -60.57 -43.23 97.54 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.635 -0.666 . . . . 0.0 109.692 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.407 HG21 HD22 ' B' ' 202' ' ' LEU . 83.1 mt -62.28 -54.86 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.127 -0.983 . . . . 0.0 109.33 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.65 -37.18 83.09 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.5 -33.65 75.53 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.404 -0.81 . . . . 0.0 108.909 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -59.0 -53.98 52.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.177 -0.952 . . . . 0.0 109.309 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -59.66 -39.04 83.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.188 -0.945 . . . . 0.0 108.923 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -82.33 -1.99 51.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.486 -0.759 . . . . 0.0 109.754 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.7 tt0 -49.08 -32.81 10.33 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.924 . . . . 0.0 110.258 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.928 HD11 ' SD ' ' A' ' 79' ' ' MET . 80.8 mt -67.42 -41.64 86.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.053 -1.029 . . . . 0.0 109.59 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.92 -4.11 11.05 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.446 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 94.46 -5.68 70.76 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -63.44 -47.05 83.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.076 -1.249 . . . . 0.0 109.183 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.488 ' O ' ' O ' ' A' ' 70' ' ' GLU . 18.6 m -68.91 -29.86 68.22 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -55.79 -28.92 58.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.604 -0.685 . . . . 0.0 109.484 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.28 96.54 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.999 -1.063 . . . . 0.0 109.953 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.5 mt-10 -134.47 146.03 49.38 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.313 -0.867 . . . . 0.0 109.879 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 49.81 40.23 19.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.251 -0.906 . . . . 0.0 109.228 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.6 p -63.21 -37.68 88.19 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.268 -0.895 . . . . 0.0 109.74 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.584 ' O ' ' CD2' ' A' ' 77' ' ' HIS . 89.9 m-20 -62.76 -41.29 99.16 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.183 -0.948 . . . . 0.0 109.598 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -61.74 -45.76 92.53 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.338 -0.851 . . . . 0.0 110.082 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.7 p -64.09 -41.85 97.15 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.144 -0.972 . . . . 0.0 109.785 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.475 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 98.2 mt -68.69 -37.74 79.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.262 -0.899 . . . . 0.0 110.049 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 50.5 m-70 -59.85 -45.67 91.7 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.112 -0.992 . . . . 0.0 110.3 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.15 -50.13 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.991 -1.068 . . . . 0.0 110.029 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.928 ' SD ' HD11 ' A' ' 63' ' ' ILE . 89.6 mtp -68.41 -46.29 70.36 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.171 -0.956 . . . . 0.0 110.401 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.593 ' OD1' ' CE1' ' A' ' 84' ' ' HIS . 27.9 t30 -65.62 -44.26 87.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.239 -0.913 . . . . 0.0 111.196 -178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 74.6 m -70.12 -49.18 53.38 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.08 -1.013 . . . . 0.0 112.094 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.69 -33.75 66.71 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.871 -1.143 . . . . 0.0 111.662 -177.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 79.8 mt -78.8 -42.18 24.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.939 -1.101 . . . . 0.0 111.291 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.593 ' CE1' ' OD1' ' A' ' 80' ' ' ASN . 80.2 m80 -75.3 -48.18 24.39 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.992 -1.067 . . . . 0.0 111.51 -178.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -84.42 111.03 19.09 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.789 -1.194 . . . . 0.0 110.394 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.467 HE22 HD21 ' A' ' 134' ' ' LEU . 48.5 tt0 -62.02 -36.58 81.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.474 -0.766 . . . . 0.0 110.274 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.04 -41.08 86.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.192 -0.943 . . . . 0.0 109.667 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -62.47 -32.16 73.01 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.223 -0.923 . . . . 0.0 108.707 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.31 -44.59 64.84 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.365 -0.834 . . . . 0.0 110.053 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -63.51 -48.54 77.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.032 -1.042 . . . . 0.0 110.49 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -62.64 -41.32 91.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.049 -1.032 . . . . 0.0 108.586 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.698 ' N ' HD12 ' A' ' 91' ' ' ILE . 60.5 t80 -63.01 -46.37 87.96 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.655 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 83.2 mtp -68.74 -40.66 79.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.434 -0.791 . . . . 0.0 109.893 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.26 -40.54 90.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.149 -0.969 . . . . 0.0 108.82 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -62.38 -43.64 98.35 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.367 -0.833 . . . . 0.0 108.965 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.819 ' CE2' HD11 ' A' ' 100' ' ' LEU . 79.1 t80 -65.94 -48.25 71.97 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.496 -0.753 . . . . 0.0 109.635 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.744 HG22 HD23 ' A' ' 127' ' ' LEU . 38.3 p -62.47 -41.53 98.84 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.219 -0.926 . . . . 0.0 109.847 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.2 ttm -60.24 -41.04 92.32 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.275 -0.891 . . . . 0.0 109.038 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -62.4 -42.09 99.16 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.364 -0.835 . . . . 0.0 109.431 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.819 HD11 ' CE2' ' A' ' 96' ' ' PHE . 81.1 mt -68.25 -37.35 80.68 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.273 -0.892 . . . . 0.0 109.903 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.615 ' CE2' HD11 ' A' ' 105' ' ' LEU . 72.6 t80 -58.15 -48.27 80.78 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.884 -1.135 . . . . 0.0 109.524 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -67.43 -44.07 79.65 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.137 -0.977 . . . . 0.0 110.098 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.13 -43.93 90.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.353 -0.842 . . . . 0.0 110.905 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -62.37 -45.85 91.28 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.949 -1.094 . . . . 0.0 110.44 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.615 HD11 ' CE2' ' A' ' 101' ' ' TYR . 93.8 mt -56.53 -52.33 65.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.779 -1.201 . . . . 0.0 109.113 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -62.45 -36.34 82.11 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.126 -0.984 . . . . 0.0 109.177 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.6 ' O ' ' N ' ' A' ' 111' ' ' GLY . 69.6 tp60 -60.35 -42.34 95.53 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.41 -0.806 . . . . 0.0 109.833 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.844 HD13 ' CE2' ' A' ' 157' ' ' TYR . 89.2 mt -64.97 -37.79 88.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.0 -1.063 . . . . 0.0 109.352 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -76.68 -52.85 8.86 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 110.411 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -87.06 -22.7 25.28 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.352 -0.843 . . . . 0.0 110.723 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -98.54 155.08 20.14 Favored Glycine 0 N--CA 1.493 2.441 0 C-N-CA 119.574 -1.298 . . . . 0.0 110.366 -179.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.0 154.21 67.01 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.926 2.417 . . . . 0.0 112.017 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.581 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 22.3 m-90 -94.77 116.16 28.4 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.173 -0.954 . . . . 0.0 109.743 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.9 m-20 -134.99 169.19 17.8 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.344 -0.848 . . . . 0.0 109.146 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.6 m -64.08 -32.62 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 O-C-N 121.178 -0.951 . . . . 0.0 109.443 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.401 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.5 mtm -60.12 -40.5 89.93 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.28 -0.888 . . . . 0.0 109.637 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.4 mm? -67.11 -38.19 85.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.263 -0.898 . . . . 0.0 109.487 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.496 ' HE2' HD23 ' A' ' 161' ' ' LEU . 89.2 mttt -58.43 -46.02 87.33 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.289 -0.882 . . . . 0.0 109.443 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.403 ' HD3' HH12 ' A' ' 7' ' ' ARG . 92.6 mtt180 -62.93 -38.94 93.02 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.297 -0.877 . . . . 0.0 109.67 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.9 m -62.02 -40.16 94.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.298 -0.876 . . . . 0.0 109.884 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.437 ' CD1' HD21 ' A' ' 158' ' ' LEU . 94.7 mt -64.79 -43.92 91.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.17 -0.956 . . . . 0.0 109.961 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.57 ' NE1' HD13 ' A' ' 158' ' ' LEU . 77.2 m95 -61.11 -37.65 83.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.963 -1.086 . . . . 0.0 109.614 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.618 ' SG ' ' N ' ' A' ' 124' ' ' CYS . 0.1 OUTLIER -69.0 -45.84 69.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.184 -0.948 . . . . 0.0 109.455 179.492 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.618 ' N ' ' SG ' ' A' ' 123' ' ' CYS . 89.6 m -65.42 -48.46 72.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.284 -0.885 . . . . 0.0 109.809 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.55 -42.38 91.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 O-C-N 121.125 -0.985 . . . . 0.0 109.421 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 122' ' ' TRP . 90.9 m-20 -59.93 -38.76 83.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.257 -0.902 . . . . 0.0 109.135 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.744 HD23 HG22 ' A' ' 97' ' ' THR . 42.7 tp -61.44 -42.09 98.21 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.356 -0.84 . . . . 0.0 109.436 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -64.94 -42.95 94.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.303 -0.873 . . . . 0.0 109.244 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.5 m -62.91 -37.82 88.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.415 -0.803 . . . . 0.0 109.936 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.607 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 74.4 m -62.46 -49.41 75.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.245 -0.909 . . . . 0.0 109.57 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.97 -46.55 96.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 121.185 -0.947 . . . . 0.0 109.272 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.636 HD21 HE22 ' A' ' 148' ' ' GLN . 39.9 tp -63.39 -39.06 93.47 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.55 -0.719 . . . . 0.0 109.924 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -57.77 -49.45 76.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.151 -0.968 . . . . 0.0 110.098 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.467 HD21 HE22 ' A' ' 86' ' ' GLN . 33.4 tp -67.46 -43.02 82.08 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.052 -1.03 . . . . 0.0 109.8 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.429 ' HA ' HD22 ' A' ' 138' ' ' ASN . 92.9 m95 -87.29 1.7 52.44 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.285 -0.884 . . . . 0.0 110.657 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -53.08 -37.39 61.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.998 -1.063 . . . . 0.0 109.482 -179.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -62.87 -25.5 68.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.301 -0.875 . . . . 0.0 109.628 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.429 HD22 ' HA ' ' A' ' 135' ' ' TRP . 56.2 m-80 -89.15 -2.93 58.73 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.21 -0.931 . . . . 0.0 110.044 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.4 mm -103.36 143.47 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.215 -0.928 . . . . 0.0 109.162 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 32.0 t -77.83 150.2 34.27 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.289 -0.882 . . . . 0.0 108.783 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.68 -41.25 85.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.121 -0.987 . . . . 0.0 109.893 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.0 m -70.35 -45.85 65.32 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.07 -1.019 . . . . 0.0 109.688 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 86.4 p -64.26 -39.94 94.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.259 -0.9 . . . . 0.0 109.175 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.95 -39.91 72.32 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.086 -1.009 . . . . 0.0 108.634 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -49.61 -45.63 48.35 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.5 m -63.64 -40.2 96.26 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.428 ' HA ' HH11 ' A' ' 150' ' ' ARG . 35.5 tp -65.68 -38.81 90.32 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.548 -0.72 . . . . 0.0 109.558 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.636 HE22 HD21 ' A' ' 132' ' ' LEU . 58.2 mm-40 -58.82 -38.32 78.36 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -62.03 -41.75 98.44 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.554 -0.717 . . . . 0.0 109.63 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.428 HH11 ' HA ' ' A' ' 147' ' ' LEU . 80.3 mtt85 -58.37 -42.54 87.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.96 -1.087 . . . . 0.0 108.863 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 33.9 mm -64.91 -42.72 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -58.06 -38.3 76.05 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -58.51 -43.77 89.24 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 77.3 m -64.9 -50.36 66.85 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.274 -0.891 . . . . 0.0 108.868 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -60.1 -36.35 77.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.291 -0.88 . . . . 0.0 108.832 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 15.8 mt -58.76 -43.04 87.04 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 O-C-N 121.397 -0.814 . . . . 0.0 110.014 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.844 ' CE2' HD13 ' A' ' 108' ' ' LEU . 69.1 t80 -62.5 -42.51 99.55 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.299 -0.875 . . . . 0.0 108.901 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.57 HD13 ' NE1' ' A' ' 122' ' ' TRP . 72.1 mt -61.74 -40.1 93.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.92 . . . . 0.0 109.37 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.4 m -63.13 -41.46 99.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.222 -0.923 . . . . 0.0 109.882 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 165' ' ' GLU . 40.0 mtpt -61.62 -39.71 92.25 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.104 -0.997 . . . . 0.0 109.323 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.538 HD11 ' CE2' ' A' ' 157' ' ' TYR . 8.1 mp -65.15 -36.1 83.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.19 -0.944 . . . . 0.0 109.024 179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.1 -37.09 83.76 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.235 -0.916 . . . . 0.0 108.92 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -85.37 -4.41 59.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.383 -0.823 . . . . 0.0 109.274 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.56 -0.41 67.91 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 160' ' ' LYS . 95.5 mt-10 -94.77 147.1 23.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.193 -1.18 . . . . 0.0 109.786 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 37.5 mm . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.473 -0.767 . . . . 0.0 109.517 179.681 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 N--CA 1.487 1.396 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.23 -41.36 96.73 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.284 -0.885 . . . . 0.0 109.087 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -62.02 -41.43 98.09 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.299 -0.876 . . . . 0.0 109.328 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 195' ' ' LEU . . . . . 0.669 HD11 HD22 ' A' ' 53' ' ' LEU . 13.9 tp -59.32 -40.74 87.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.325 -0.86 . . . . 0.0 109.226 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.77 94.81 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.166 -0.959 . . . . 0.0 109.372 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -65.06 -35.45 81.18 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.174 -0.954 . . . . 0.0 109.419 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . 0.538 ' HD3' HD21 ' A' ' 53' ' ' LEU . 74.8 ttt180 -62.64 -43.38 98.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.229 -0.919 . . . . 0.0 109.342 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 199' ' ' LEU . . . . . 0.697 HD22 HG21 ' A' ' 32' ' ' VAL . 4.1 tp -61.66 -43.74 98.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.307 -0.871 . . . . 0.0 109.21 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -60.89 -36.65 79.78 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.339 -0.851 . . . . 0.0 109.194 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.56 -37.46 86.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.193 -0.942 . . . . 0.0 108.784 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 202' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 56' ' ' ILE . 14.9 tp -60.63 -38.68 85.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.38 -0.825 . . . . 0.0 108.86 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -93.7 -1.21 55.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.311 -0.868 . . . . 0.0 109.409 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 118.054 -1.414 . . . . 0.0 109.574 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.415 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -59.14 -42.26 90.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.224 -0.922 . . . . 0.0 109.162 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -63.51 -37.65 88.12 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.193 -0.942 . . . . 0.0 108.981 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -57.09 -39.61 75.36 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.409 ' HB2' HD12 ' A' ' 34' ' ' LEU . . . -65.39 -40.18 93.16 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.18 99.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.361 -0.837 . . . . 0.0 109.196 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.592 ' O ' HG23 ' A' ' 11' ' ' THR . 10.3 tpp180 -60.44 -38.9 85.6 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.306 -0.871 . . . . 0.0 109.296 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.93 -40.62 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.296 -0.877 . . . . 0.0 109.242 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.61 -38.1 79.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 C-N-CA 119.474 -0.89 . . . . 0.0 109.192 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.68 96.7 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.203 -0.936 . . . . 0.0 108.966 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 7' ' ' ARG . 2.7 p -69.01 -35.39 76.6 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.309 -0.869 . . . . 0.0 108.918 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.36 -44.47 88.84 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.293 -0.879 . . . . 0.0 109.16 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -63.77 -42.35 97.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.282 -0.886 . . . . 0.0 109.161 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.59 -40.93 93.56 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.541 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.94 -41.62 98.17 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.339 -0.85 . . . . 0.0 109.374 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -58.68 -38.94 79.29 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.266 -0.896 . . . . 0.0 108.722 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -60.76 -30.56 70.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.475 -0.766 . . . . 0.0 109.253 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -83.44 -14.55 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.35 -0.844 . . . . 0.0 109.771 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.11 25.22 29.58 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.6 mt -95.36 54.7 1.65 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.218 -1.166 . . . . 0.0 109.01 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.0 -30.62 57.6 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.46 HG21 ' CD2' ' A' ' 92' ' ' TYR . 9.4 mm -58.61 -54.13 37.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.202 -1.175 . . . . 0.0 109.596 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.1 mm -64.87 -38.0 81.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.75 -45.45 94.82 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.749 ' CE2' HD11 ' A' ' 29' ' ' LEU . 64.2 t80 -60.73 -48.62 80.99 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.953 -1.322 . . . . 0.0 109.95 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.665 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 74.5 t80 -66.18 -43.56 86.5 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.152 -0.967 . . . . 0.0 110.5 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.743 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -69.05 -36.42 77.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.107 -0.996 . . . . 0.0 110.203 -179.017 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.401 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 91.2 mt-30 -61.73 -40.71 96.06 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.617 -1.302 . . . . 0.0 108.781 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.749 HD11 ' CE2' ' A' ' 25' ' ' TYR . 88.4 mt -61.52 -39.51 91.27 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.159 -0.963 . . . . 0.0 108.47 178.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.606 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 71.5 t80 -66.56 -36.29 82.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.152 -0.968 . . . . 0.0 109.077 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.94 86.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.271 -0.893 . . . . 0.0 109.955 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.08 -47.26 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.776 -1.202 . . . . 0.0 108.66 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' OE2' ' NH1' ' B' ' 203' ' ' ARG . 97.0 mt-10 -62.19 -33.8 75.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.007 -1.058 . . . . 0.0 108.71 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.714 HD13 ' C ' ' A' ' 34' ' ' LEU . 3.2 tm? -60.96 -45.8 93.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.484 -0.76 . . . . 0.0 109.518 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.1 mt -63.67 -46.45 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.143 -0.973 . . . . 0.0 109.806 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.1 mp -63.0 -36.23 82.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.302 -0.874 . . . . 0.0 109.326 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.2 p -72.68 -23.36 60.87 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' OE2' ' CZ ' ' A' ' 41' ' ' ARG . 83.5 tt0 -69.74 150.93 46.4 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.782 -0.574 . . . . 0.0 109.683 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.21 150.93 13.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.0 109.269 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -57.81 130.68 47.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.291 -0.881 . . . . 0.0 110.099 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.485 ' CZ ' ' OE2' ' A' ' 38' ' ' GLU . 10.9 mtt85 -122.09 170.87 9.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.747 -0.596 . . . . 0.0 109.582 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.7 m -57.39 168.07 0.85 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.321 -0.862 . . . . 0.0 110.647 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.832 ' NE2' HG21 ' A' ' 46' ' ' THR . 56.2 tp60 -55.56 -25.45 38.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.817 -0.552 . . . . 0.0 110.776 -178.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -50.18 -39.98 45.52 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.866 -1.146 . . . . 0.0 109.298 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -35.11 79.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.046 -1.034 . . . . 0.0 109.02 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.832 HG21 ' NE2' ' A' ' 43' ' ' GLN . 41.1 m -59.34 -42.04 90.58 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.314 -0.866 . . . . 0.0 109.255 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.7 95.97 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.21 -0.931 . . . . 0.0 108.755 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.81 -39.03 87.42 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.239 -0.913 . . . . 0.0 108.957 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.41 87.27 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.326 -0.859 . . . . 0.0 109.642 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 46' ' ' THR . 71.3 p -62.97 -43.05 99.84 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.063 -1.023 . . . . 0.0 109.495 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.66 -40.63 92.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.323 -0.861 . . . . 0.0 108.869 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.3 -38.21 90.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.25 -0.906 . . . . 0.0 109.0 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.689 HD22 HD11 ' B' ' 195' ' ' LEU . 31.4 tp -59.33 -41.04 88.17 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.269 -0.894 . . . . 0.0 108.646 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -60.97 -39.64 90.34 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 59' ' ' PHE . 51.8 m -60.32 -39.05 85.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.698 -0.626 . . . . 0.0 109.816 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.633 HG21 HD22 ' B' ' 202' ' ' LEU . 31.7 mm -57.36 -53.05 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.114 -0.991 . . . . 0.0 109.224 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.5 -36.79 84.93 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.83 -32.47 73.04 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 55' ' ' THR . 87.2 t80 -60.01 -54.46 45.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.266 -0.896 . . . . 0.0 109.441 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -62.67 -42.89 99.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.108 -0.995 . . . . 0.0 109.395 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -82.79 -2.56 54.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.355 -0.841 . . . . 0.0 110.084 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.58 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.39 -35.38 18.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.076 -1.015 . . . . 0.0 109.777 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 65' ' ' GLY . 86.3 mt -68.72 -36.98 76.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.187 -0.946 . . . . 0.0 109.642 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.0 -5.63 12.61 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.164 -1.575 . . . . 0.0 109.164 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.404 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 89.93 -7.95 80.74 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -65.7 -46.49 78.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.104 -1.233 . . . . 0.0 109.718 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.5 t -63.61 -35.15 79.58 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.199 -0.938 . . . . 0.0 109.321 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.475 ' OE2' HD21 ' A' ' 76' ' ' LEU . 96.8 mt-10 -63.01 -29.23 70.66 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.446 -0.784 . . . . 0.0 109.893 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -40.56 -37.07 0.66 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.196 -0.94 . . . . 0.0 109.782 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -110.41 131.29 55.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.403 -0.81 . . . . 0.0 109.039 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 51.59 48.02 23.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.105 -0.997 . . . . 0.0 109.002 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.9 t -56.32 -38.5 71.39 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.34 -0.85 . . . . 0.0 110.344 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.82 -43.74 94.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.053 -1.029 . . . . 0.0 110.238 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -66.25 -41.08 90.45 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.043 -1.036 . . . . 0.0 110.343 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -62.37 -45.86 91.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.177 -0.952 . . . . 0.0 110.194 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.475 HD21 ' OE2' ' A' ' 68' ' ' GLU . 85.0 mt -65.53 -39.25 91.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.257 -0.902 . . . . 0.0 109.714 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.477 ' O ' ' OG1' ' A' ' 81' ' ' THR . 64.4 m170 -62.05 -45.59 92.88 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.19 -0.944 . . . . 0.0 109.951 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.42 -50.21 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.148 -0.97 . . . . 0.0 110.144 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 94.5 mmm -68.36 -46.59 69.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.223 -0.923 . . . . 0.0 110.715 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.588 ' OD1' ' CE1' ' A' ' 84' ' ' HIS . 32.1 t30 -68.56 -43.63 76.22 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.014 -1.054 . . . . 0.0 111.426 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 56.3 m -65.62 -48.34 72.56 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.152 -0.967 . . . . 0.0 111.948 -178.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.541 HD23 ' CG ' ' A' ' 88' ' ' LYS . 14.4 mt -72.36 -34.01 67.67 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.853 -1.154 . . . . 0.0 111.386 -178.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 94.2 mt -78.0 -35.56 20.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.987 -1.07 . . . . 0.0 111.065 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.588 ' CE1' ' OD1' ' A' ' 80' ' ' ASN . 77.7 m80 -89.13 -31.59 17.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.02 -1.05 . . . . 0.0 111.323 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -87.83 105.98 17.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.745 -1.222 . . . . 0.0 109.939 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -62.15 -40.11 94.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.34 -0.85 . . . . 0.0 109.914 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.56 -40.98 98.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.214 -0.929 . . . . 0.0 109.66 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.541 ' CG ' HD23 ' A' ' 82' ' ' LEU . 5.6 tptm -62.18 -34.34 76.24 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.83 -42.96 66.34 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.323 -0.861 . . . . 0.0 109.592 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -61.37 -48.86 79.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.269 -0.895 . . . . 0.0 109.862 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.669 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -66.59 -40.36 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.215 -0.928 . . . . 0.0 108.889 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.669 ' N ' HD12 ' A' ' 91' ' ' ILE . 61.1 t80 -61.96 -47.27 85.59 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.231 -0.918 . . . . 0.0 108.557 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.665 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 74.4 mtm -63.9 -37.28 86.82 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.324 -0.86 . . . . 0.0 109.34 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.8 mt -61.6 -39.62 91.87 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.016 -1.053 . . . . 0.0 108.825 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.62 -44.02 97.77 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.443 -0.786 . . . . 0.0 109.058 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -67.42 -49.46 63.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.365 -0.835 . . . . 0.0 109.343 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 93' ' ' MET . 81.5 p -62.47 -44.31 96.7 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 121.279 -0.888 . . . . 0.0 109.268 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 50.8 ttm -60.64 -47.64 85.32 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.299 -0.875 . . . . 0.0 108.761 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.4 t -65.0 -42.06 94.84 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 104' ' ' LYS . 33.2 tp -64.04 -37.64 88.17 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.486 -0.759 . . . . 0.0 109.337 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -59.37 -48.53 81.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.378 -0.826 . . . . 0.0 109.607 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -65.98 -46.74 76.95 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.091 -1.006 . . . . 0.0 109.009 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.46 -34.84 78.64 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.399 -0.813 . . . . 0.0 109.074 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 100' ' ' LEU . 6.1 ttpm? -59.91 -44.33 94.35 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.326 -0.859 . . . . 0.0 109.304 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.2 -43.4 98.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.185 -0.947 . . . . 0.0 109.281 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -61.23 -40.73 95.11 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.199 -0.938 . . . . 0.0 110.192 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' A' ' 111' ' ' GLY . 27.9 mt-30 -62.05 -40.93 97.43 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.127 -0.983 . . . . 0.0 109.921 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.471 HD13 ' CE2' ' A' ' 157' ' ' TYR . 82.0 mt -64.95 -38.98 92.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.01 -1.056 . . . . 0.0 109.467 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -78.6 -53.1 7.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.272 -0.893 . . . . 0.0 110.25 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -83.68 -23.02 31.91 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.49 -0.756 . . . . 0.0 110.72 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -101.78 149.44 18.1 Favored Glycine 0 N--CA 1.492 2.428 0 C-N-CA 119.601 -1.285 . . . . 0.0 110.253 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.01 154.08 52.65 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 122.725 2.283 . . . . 0.0 111.806 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.669 ' CH2' HG21 ' A' ' 166' ' ' ILE . 15.1 m-90 -92.3 116.69 29.18 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.073 -1.017 . . . . 0.0 109.635 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 88.0 m-20 -135.02 175.89 9.16 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.284 -0.885 . . . . 0.0 109.062 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -60.52 -36.2 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.166 -0.959 . . . . 0.0 109.316 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.445 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.7 mtm -60.44 -39.83 88.9 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.31 -0.869 . . . . 0.0 109.195 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.4 mm? -65.61 -37.91 87.95 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.308 -0.87 . . . . 0.0 108.958 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -57.87 -42.71 85.11 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.209 -0.932 . . . . 0.0 108.798 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -62.68 -39.47 94.06 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.368 -0.832 . . . . 0.0 109.03 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.9 m -62.67 -39.7 94.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.371 -0.831 . . . . 0.0 109.738 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.94 -42.0 99.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.191 -0.943 . . . . 0.0 109.743 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.754 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 86.5 m95 -63.53 -39.55 94.7 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.184 -0.947 . . . . 0.0 109.577 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.6 m -67.62 -42.77 81.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -0.891 . . . . 0.0 109.969 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 76.0 m -58.93 -47.31 85.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.158 -0.964 . . . . 0.0 109.722 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.93 -39.07 80.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.184 -0.948 . . . . 0.0 109.403 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.564 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 91.0 m-20 -60.21 -41.42 93.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.277 -0.889 . . . . 0.0 109.727 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.62 -42.24 99.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.136 -0.977 . . . . 0.0 109.627 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -72.31 -43.11 64.65 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.244 -0.91 . . . . 0.0 109.516 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.6 p -70.99 -33.13 70.11 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.265 -0.897 . . . . 0.0 110.246 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.606 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 90.2 m -68.14 -50.08 56.89 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.032 -1.043 . . . . 0.0 109.782 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.2 mt -66.37 -44.02 91.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.213 -0.929 . . . . 0.0 109.411 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.656 HD21 HE22 ' A' ' 148' ' ' GLN . 38.9 tp -63.09 -40.54 97.94 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.485 -0.76 . . . . 0.0 109.95 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -60.84 -49.33 77.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.183 -0.948 . . . . 0.0 110.278 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 39.1 tp -64.3 -44.75 90.65 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.075 -1.015 . . . . 0.0 109.866 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -87.4 3.51 46.79 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.311 -0.868 . . . . 0.0 110.327 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 132' ' ' LEU . 5.8 tptm -53.43 -36.01 61.07 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.242 -0.911 . . . . 0.0 109.858 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -62.78 -25.41 68.21 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.122 -0.986 . . . . 0.0 109.371 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -89.92 -2.9 58.27 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.193 -0.942 . . . . 0.0 110.099 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.9 mm -104.4 142.08 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.115 -0.991 . . . . 0.0 109.805 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.1 m -77.56 155.42 31.58 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -55.41 -41.57 72.9 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.07 -1.019 . . . . 0.0 109.716 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 26.6 m -72.14 -43.3 64.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.936 -1.102 . . . . 0.0 109.211 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.7 m -59.14 -39.32 82.02 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.153 -0.967 . . . . 0.0 108.653 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.9 -38.64 91.83 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -55.36 -45.54 76.51 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.404 -0.81 . . . . 0.0 109.421 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.5 m -61.35 -46.38 90.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.157 -0.964 . . . . 0.0 109.453 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 37.6 mt -65.79 -39.93 91.44 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.276 -0.89 . . . . 0.0 109.014 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.656 HE22 HD21 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -64.0 -36.21 83.25 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.334 -0.854 . . . . 0.0 109.001 179.481 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -62.19 -38.62 89.81 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.099 -1.0 . . . . 0.0 109.248 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.33 -42.5 98.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.061 -1.024 . . . . 0.0 108.339 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.7 -37.56 80.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -57.9 -41.43 82.6 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -58.82 -43.23 90.56 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 88.1 m -64.81 -50.36 67.03 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.287 -0.883 . . . . 0.0 109.077 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -62.39 -37.17 84.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.293 -0.879 . . . . 0.0 109.347 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 11.0 mt -58.5 -47.8 87.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.153 -0.967 . . . . 0.0 109.827 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.594 ' OH ' ' CE2' ' A' ' 113' ' ' TRP . 74.3 t80 -63.2 -40.42 97.44 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.754 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 36.5 tp -59.57 -41.06 89.35 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.2 m -61.84 -37.92 86.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.309 -0.869 . . . . 0.0 109.008 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -61.07 -40.28 93.07 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.269 -0.894 . . . . 0.0 108.9 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.67 -35.43 80.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.296 -0.877 . . . . 0.0 109.207 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.59 -37.18 82.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.411 -0.805 . . . . 0.0 109.145 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -81.73 -11.52 59.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.244 -0.91 . . . . 0.0 109.291 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.37 -2.21 74.04 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -94.89 139.61 31.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -1.145 . . . . 0.0 109.65 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.669 HG21 ' CH2' ' A' ' 113' ' ' TRP . 37.9 mm . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.451 -0.781 . . . . 0.0 109.389 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -62.39 -39.59 93.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.337 -0.852 . . . . 0.0 108.937 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -60.12 -42.1 94.05 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.381 -0.824 . . . . 0.0 109.278 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 195' ' ' LEU . . . . . 0.689 HD11 HD22 ' A' ' 53' ' ' LEU . 49.3 tp -59.64 -42.33 92.51 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.206 -0.934 . . . . 0.0 109.084 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.99 91.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.2 -0.938 . . . . 0.0 109.043 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -65.27 -34.75 79.08 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.359 -0.838 . . . . 0.0 109.162 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -58.96 -43.89 91.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.264 -0.898 . . . . 0.0 109.101 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.0 -42.66 99.9 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.213 -0.929 . . . . 0.0 108.858 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -58.96 -38.45 79.11 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.361 -0.837 . . . . 0.0 108.82 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.35 79.9 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.321 -0.862 . . . . 0.0 108.705 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 202' ' ' LEU . . . . . 0.633 HD22 HG21 ' A' ' 56' ' ' ILE . 4.2 tp -58.99 -39.72 82.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.0 108.988 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 203' ' ' ARG . . . . . 0.474 ' NH1' ' OE2' ' A' ' 33' ' ' GLU . 33.7 ptt180 -101.51 3.7 40.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.887 . . . . 0.0 109.445 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 117.991 -1.449 . . . . 0.0 109.515 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.1 83.74 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.136 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -63.38 -38.57 91.65 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.139 -0.976 . . . . 0.0 108.97 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -57.32 -39.63 76.22 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.548 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.66 -39.82 95.29 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.32 95.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.337 -0.852 . . . . 0.0 109.151 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' A' ' 11' ' ' THR . 12.4 tpt85 -60.29 -38.87 84.97 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.255 -0.903 . . . . 0.0 109.021 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.53 -39.47 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.281 -0.887 . . . . 0.0 109.007 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.45 -38.36 79.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.337 -0.852 . . . . 0.0 108.975 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.19 95.09 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.292 -0.963 . . . . 0.0 108.575 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.558 ' CG2' ' NH1' ' A' ' 7' ' ' ARG . 3.8 p -67.93 -35.36 78.29 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.97 -42.42 89.87 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.302 -0.874 . . . . 0.0 108.814 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -62.83 -43.58 98.41 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.255 -0.903 . . . . 0.0 108.933 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -61.34 -42.23 98.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.231 -0.918 . . . . 0.0 109.235 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -62.39 -40.5 96.69 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.337 -0.852 . . . . 0.0 109.206 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.474 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 55.5 t0 -58.75 -38.41 78.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.252 -0.905 . . . . 0.0 108.682 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -60.71 -30.48 69.98 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 18' ' ' VAL . 58.5 t -83.76 -10.22 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.432 -0.792 . . . . 0.0 109.477 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.53 16.86 56.27 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.1 mt -95.75 47.57 1.11 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.316 -1.108 . . . . 0.0 109.088 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.21 -32.24 57.01 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.2 mm -58.54 -50.23 79.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 O-C-N 121.172 -1.193 . . . . 0.0 109.603 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.2 mm -63.13 -42.22 95.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.227 -0.921 . . . . 0.0 109.05 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.551 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.59 -39.35 94.95 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.802 ' CE2' HD11 ' A' ' 29' ' ' LEU . 65.2 t80 -62.46 -47.72 82.78 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.149 -1.207 . . . . 0.0 110.408 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.667 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 70.9 t80 -61.11 -45.86 92.96 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.264 -0.897 . . . . 0.0 111.275 -178.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.551 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.9 pp -66.17 -33.41 75.71 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.579 -1.326 . . . . 0.0 109.918 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.489 ' N ' HD12 ' A' ' 27' ' ' LEU . 91.9 mt-30 -59.87 -40.41 88.53 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.624 -1.297 . . . . 0.0 107.895 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.802 HD11 ' CE2' ' A' ' 25' ' ' TYR . 86.0 mt -61.77 -38.29 87.49 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.661 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 84.7 t80 -67.32 -36.3 81.18 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.421 -0.799 . . . . 0.0 109.253 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.5 93.08 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.307 -0.871 . . . . 0.0 110.151 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.694 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -65.89 -42.53 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.778 -1.202 . . . . 0.0 108.775 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.6 -34.75 76.18 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.948 -1.095 . . . . 0.0 108.793 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.548 HD23 ' HB2' ' A' ' 5' ' ' ALA . 43.3 tp -64.25 -45.19 89.24 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.323 -0.861 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.1 mt -60.27 -46.63 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.08 -1.012 . . . . 0.0 110.111 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -64.44 -33.4 75.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.353 -0.842 . . . . 0.0 109.857 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.2 p -71.75 -25.66 62.13 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.077 -1.014 . . . . 0.0 109.73 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -76.22 150.46 37.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.358 -0.839 . . . . 0.0 109.931 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.94 151.05 15.46 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.432 -0.792 . . . . 0.0 109.136 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -57.35 140.17 50.93 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.234 -0.916 . . . . 0.0 109.825 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -122.15 170.57 9.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.718 -0.614 . . . . 0.0 109.475 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p -57.81 171.42 0.49 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.91 . . . . 0.0 109.769 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -55.58 -28.64 56.22 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.466 -0.772 . . . . 0.0 110.722 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.27 -41.68 50.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.799 -1.188 . . . . 0.0 109.412 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 56.3 ttp -64.3 -36.25 83.5 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.03 -1.044 . . . . 0.0 109.017 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.7 m -59.59 -40.91 89.03 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.415 -0.803 . . . . 0.0 109.25 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.27 97.91 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.268 -0.895 . . . . 0.0 108.794 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.5 tp -61.23 -39.28 89.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.375 -0.828 . . . . 0.0 109.006 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.49 91.21 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.299 -0.876 . . . . 0.0 109.366 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.1 m -60.7 -42.58 97.45 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.193 -0.942 . . . . 0.0 109.158 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.86 -39.36 91.6 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.261 -0.9 . . . . 0.0 108.964 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 52' ' ' LEU . 30.9 tp -60.55 -40.71 92.6 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.374 -0.829 . . . . 0.0 109.213 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.561 HD22 HD11 ' B' ' 195' ' ' LEU . 42.3 tp -61.08 -39.9 91.68 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.294 -0.879 . . . . 0.0 108.935 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -59.94 -41.28 91.51 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.459 -0.775 . . . . 0.0 108.938 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.407 HG22 ' NE2' ' A' ' 28' ' ' GLN . 42.9 m -60.72 -41.8 95.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.512 -0.743 . . . . 0.0 109.672 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.508 HG21 ' CD2' ' B' ' 202' ' ' LEU . 79.7 mt -59.29 -51.54 71.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.209 -0.932 . . . . 0.0 109.182 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.534 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.9 mt-10 -62.54 -36.71 83.47 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -65.24 -34.52 78.55 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -59.38 -54.26 48.7 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.285 -0.884 . . . . 0.0 109.176 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.22 -40.82 97.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.098 -1.001 . . . . 0.0 109.009 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -82.53 -2.42 53.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.503 -0.748 . . . . 0.0 109.831 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.0 tt0 -49.11 -34.94 15.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.175 -0.953 . . . . 0.0 109.846 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.561 HG23 ' HB2' ' A' ' 67' ' ' SER . 81.9 mt -68.44 -41.2 83.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 121.172 -0.955 . . . . 0.0 109.676 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.25 -5.47 9.23 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.518 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 90.77 -8.48 79.74 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -69.74 -47.07 64.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.236 -1.155 . . . . 0.0 109.648 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.561 ' HB2' HG23 ' A' ' 63' ' ' ILE . 18.3 m -69.22 -32.45 71.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.243 -0.911 . . . . 0.0 108.988 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 72' ' ' SER . 84.3 tt0 -57.23 -32.95 67.05 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.553 -0.717 . . . . 0.0 109.92 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.94 -37.91 83.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.133 -0.979 . . . . 0.0 109.961 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' ASP . 95.6 mt-10 -97.7 135.34 39.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.153 -0.967 . . . . 0.0 108.786 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' GLU . 85.9 m-20 48.88 44.1 21.93 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -58.28 -43.3 87.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.636 -0.665 . . . . 0.0 110.564 -178.602 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.585 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 90.6 m-20 -62.87 -48.09 80.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.985 -1.072 . . . . 0.0 110.116 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -72.6 -42.85 64.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.348 -0.845 . . . . 0.0 110.641 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.2 m -59.5 -46.22 89.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.107 -0.995 . . . . 0.0 110.174 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.406 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 99.1 mt -68.21 -37.95 81.42 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.207 -0.933 . . . . 0.0 109.807 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.585 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 64.8 m170 -61.11 -45.59 94.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.285 -0.884 . . . . 0.0 110.233 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.11 -49.94 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.103 -0.998 . . . . 0.0 110.251 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.435 ' HE3' ' HB3' ' A' ' 79' ' ' MET . 97.2 mmm -67.92 -46.34 71.79 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.072 -1.017 . . . . 0.0 110.233 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.591 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 57.8 t-20 -68.4 -44.52 74.9 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.179 -0.951 . . . . 0.0 111.293 -178.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 39.7 m -67.28 -48.12 68.61 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.049 -1.032 . . . . 0.0 112.0 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.9 mt -70.82 -33.88 71.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.926 -1.109 . . . . 0.0 111.32 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.9 mt -79.03 -42.21 23.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 120.885 -1.135 . . . . 0.0 111.072 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.591 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 67.4 m80 -75.52 -48.0 24.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.133 -0.979 . . . . 0.0 111.312 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -83.1 108.36 16.32 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.834 -1.166 . . . . 0.0 110.114 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.748 HE22 HD21 ' A' ' 134' ' ' LEU . 45.5 tt0 -61.97 -34.84 76.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.454 -0.779 . . . . 0.0 110.001 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.61 -42.13 87.45 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.092 -1.005 . . . . 0.0 109.675 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -63.29 -34.98 78.87 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.82 -42.66 66.75 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.25 -0.906 . . . . 0.0 109.485 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -60.27 -48.44 81.73 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.081 -1.012 . . . . 0.0 109.75 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.735 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -69.9 -41.14 79.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.298 -0.876 . . . . 0.0 108.932 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.735 ' N ' HD12 ' A' ' 91' ' ' ILE . 63.7 t80 -62.85 -48.67 78.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.25 -0.906 . . . . 0.0 108.656 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.667 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 72.1 mtm -65.77 -37.62 86.84 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.297 -0.877 . . . . 0.0 109.313 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.9 tp -61.4 -40.9 96.05 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.215 -0.928 . . . . 0.0 108.961 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -62.48 -42.27 99.37 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.442 -0.786 . . . . 0.0 109.299 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.546 ' CE2' HD22 ' A' ' 100' ' ' LEU . 67.7 t80 -63.38 -47.13 83.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.437 -0.789 . . . . 0.0 109.626 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.721 HG22 HD23 ' A' ' 127' ' ' LEU . 41.9 p -62.68 -43.28 99.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.248 -0.907 . . . . 0.0 109.6 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 59.8 ttp -63.92 -46.84 82.98 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.379 -0.826 . . . . 0.0 109.205 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 m -69.24 -42.03 76.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.843 . . . . 0.0 109.502 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.546 HD22 ' CE2' ' A' ' 96' ' ' PHE . 29.0 tp -67.43 -39.96 85.45 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.338 -0.851 . . . . 0.0 110.068 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.65 ' CE2' HD11 ' A' ' 105' ' ' LEU . 76.6 t80 -62.94 -48.39 79.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.27 -0.894 . . . . 0.0 110.642 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -63.79 -47.19 81.9 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.959 -1.088 . . . . 0.0 109.973 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.25 -37.68 88.19 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.258 -0.901 . . . . 0.0 109.37 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.584 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 38.8 tttp -61.74 -42.04 98.44 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.364 -0.835 . . . . 0.0 109.648 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.65 HD11 ' CE2' ' A' ' 101' ' ' TYR . 93.9 mt -59.98 -43.3 95.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.102 -0.999 . . . . 0.0 109.101 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -60.11 -37.67 80.71 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.174 -0.954 . . . . 0.0 109.074 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.59 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.3 mt-30 -62.87 -38.33 90.42 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.366 -0.834 . . . . 0.0 109.451 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.457 HD13 ' CE2' ' A' ' 157' ' ' TYR . 63.3 mt -63.71 -39.14 93.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.167 -0.958 . . . . 0.0 109.283 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -78.2 -53.12 7.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 110.39 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -82.13 -23.03 35.86 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.4 -0.812 . . . . 0.0 110.518 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.61 155.16 17.89 Favored Glycine 0 N--CA 1.493 2.476 0 C-N-CA 119.713 -1.232 . . . . 0.0 110.312 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -68.82 154.3 71.35 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.941 2.428 . . . . 0.0 111.869 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.588 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 13.0 m-90 -92.23 124.62 36.44 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.149 -0.97 . . . . 0.0 109.656 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.2 m-20 -134.5 166.64 22.42 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.422 -0.799 . . . . 0.0 109.485 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.402 ' H ' HG13 ' A' ' 115' ' ' VAL . 2.9 m -64.17 -31.87 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.244 -0.91 . . . . 0.0 109.393 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.8 mtm -59.34 -39.08 82.04 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.327 -0.858 . . . . 0.0 109.31 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.98 -37.72 88.45 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.227 -0.92 . . . . 0.0 109.12 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.575 ' HA ' HD12 ' A' ' 121' ' ' LEU . 20.5 mttp -59.67 -42.14 92.24 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.197 -0.939 . . . . 0.0 109.033 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -62.47 -40.61 97.21 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.335 -0.853 . . . . 0.0 109.235 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.584 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 96.8 p -65.63 -34.19 77.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.463 -0.773 . . . . 0.0 109.421 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 118' ' ' LYS . 34.1 mt -64.78 -42.01 95.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.29 -0.881 . . . . 0.0 109.434 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.706 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 90.8 m95 -63.13 -41.41 99.32 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.072 -1.017 . . . . 0.0 109.269 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.8 m -68.71 -41.14 79.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.294 -0.879 . . . . 0.0 109.643 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 91.6 m -62.32 -49.42 75.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.19 -0.944 . . . . 0.0 109.732 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.75 -41.91 90.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 121.216 -0.928 . . . . 0.0 109.355 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.497 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.3 m-20 -61.18 -39.16 89.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.363 -0.836 . . . . 0.0 109.649 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.721 HD23 HG22 ' A' ' 97' ' ' THR . 44.4 tp -61.23 -44.95 96.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 109.452 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.527 ' HZ ' HD23 ' A' ' 147' ' ' LEU . 48.4 t80 -69.12 -43.11 75.08 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.295 -0.878 . . . . 0.0 109.295 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.6 m -62.02 -38.45 88.71 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.366 -0.834 . . . . 0.0 109.822 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.661 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 72.6 m -63.41 -49.3 74.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.21 -0.931 . . . . 0.0 109.364 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.63 -43.77 98.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 O-C-N 121.188 -0.945 . . . . 0.0 109.289 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.835 HD21 ' NE2' ' A' ' 148' ' ' GLN . 61.7 tp -62.56 -40.23 96.17 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.544 -0.723 . . . . 0.0 110.329 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -62.14 -49.33 76.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.13 -0.981 . . . . 0.0 110.458 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.748 HD21 HE22 ' A' ' 86' ' ' GLN . 35.1 tp -65.52 -43.9 88.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.036 -1.04 . . . . 0.0 110.374 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.432 ' HA ' HD22 ' A' ' 138' ' ' ASN . 98.5 m95 -86.93 2.39 49.46 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.248 -0.907 . . . . 0.0 110.556 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -37.52 63.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.111 -0.993 . . . . 0.0 109.519 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.01 -25.34 65.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.908 . . . . 0.0 110.024 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.432 HD22 ' HA ' ' A' ' 135' ' ' TRP . 52.3 m-80 -89.07 -5.96 57.47 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.09 -1.006 . . . . 0.0 110.67 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.1 147.19 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.227 -0.92 . . . . 0.0 109.902 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 55.4 p -77.13 155.56 32.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.421 -0.799 . . . . 0.0 109.538 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.07 -40.36 89.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.823 . . . . 0.0 110.158 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 27.7 m -67.13 -45.2 77.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.729 -1.232 . . . . 0.0 109.076 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.9 m -59.83 -39.63 85.74 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.91 -38.85 87.19 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -56.04 -44.57 78.94 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.494 -0.754 . . . . 0.0 109.356 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.9 m -61.16 -50.51 72.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.203 -0.936 . . . . 0.0 109.981 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 147' ' ' LEU . 10.3 mp -66.26 -38.72 88.5 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.128 -0.983 . . . . 0.0 109.215 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.835 ' NE2' HD21 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -63.06 -38.83 92.73 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.235 -0.916 . . . . 0.0 109.434 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -62.49 -39.2 92.71 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.948 -1.095 . . . . 0.0 108.905 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.15 -40.32 85.17 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.168 -0.957 . . . . 0.0 108.61 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.8 mm -60.96 -40.59 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.361 -0.837 . . . . 0.0 108.854 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -57.49 -41.69 81.21 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.608 ' HA ' HD12 ' A' ' 156' ' ' ILE . 73.6 t80 -57.97 -42.62 85.43 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . 0.423 ' HG ' ' HE1' ' A' ' 101' ' ' TYR . 5.1 m -62.77 -49.96 72.92 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -62.42 -33.83 75.57 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.505 -0.747 . . . . 0.0 109.41 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 153' ' ' TYR . 19.7 mt -57.89 -48.08 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 O-C-N 121.196 -0.94 . . . . 0.0 109.861 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.588 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 54.2 t80 -63.13 -41.0 99.22 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.706 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 48.2 tp -59.91 -40.11 87.72 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.754 -0.591 . . . . 0.0 109.46 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.8 m -61.87 -42.03 98.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 0.0 109.757 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -61.5 -40.56 95.02 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.112 -0.993 . . . . 0.0 109.228 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.437 HD11 ' CE2' ' A' ' 157' ' ' TYR . 10.3 mp -66.52 -35.16 79.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.265 -0.897 . . . . 0.0 109.087 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.83 81.56 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.286 -0.884 . . . . 0.0 109.073 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -81.66 -12.02 58.85 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.342 -0.849 . . . . 0.0 109.264 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.11 -3.91 73.73 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -95.09 144.05 26.05 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.225 -1.162 . . . . 0.0 109.705 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 39.4 mm . . . . . 0 N--CA 1.49 1.561 0 O-C-N 121.491 -0.755 . . . . 0.0 109.425 179.541 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -61.03 -40.66 94.43 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.283 -0.885 . . . . 0.0 109.036 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -61.41 -42.18 98.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.323 -0.861 . . . . 0.0 109.358 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 195' ' ' LEU . . . . . 0.561 HD11 HD22 ' A' ' 53' ' ' LEU . 36.1 tp -59.68 -40.04 86.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.235 -0.916 . . . . 0.0 109.268 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.08 97.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.334 -0.854 . . . . 0.0 109.389 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -65.17 -35.67 81.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.239 -0.913 . . . . 0.0 109.244 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . 0.534 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 79.3 ttt180 -60.82 -42.98 98.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.276 -0.89 . . . . 0.0 109.158 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 199' ' ' LEU . . . . . 0.694 HD22 HG21 ' A' ' 32' ' ' VAL . 2.9 tp -62.42 -43.19 99.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.205 -0.934 . . . . 0.0 109.144 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -59.18 -36.78 75.94 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.349 -0.845 . . . . 0.0 108.921 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.7 -36.51 83.84 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.311 -0.868 . . . . 0.0 108.683 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 202' ' ' LEU . . . . . 0.508 ' CD2' HG21 ' A' ' 56' ' ' ILE . 9.6 tp -59.98 -39.02 84.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.404 -0.81 . . . . 0.0 108.879 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -87.4 -10.5 51.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.347 -0.846 . . . . 0.0 109.251 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 CA-C-O 117.995 -1.447 . . . . 0.0 109.545 179.847 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.68 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 87.8 mtp . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.386 0.612 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.674 ' HB1' ' CE ' ' A' ' 45' ' ' MET . . . -57.39 -37.74 73.17 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.101 -0.999 . . . . 0.0 108.896 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.9 p -64.25 -37.5 87.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.272 -0.892 . . . . 0.0 109.178 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.68 ' ND2' ' N ' ' A' ' 1' ' ' MET . 93.3 m-20 -58.58 -41.69 86.31 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.996 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.21 -40.15 96.65 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.56 96.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.507 -0.745 . . . . 0.0 109.361 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.432 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.1 -41.71 93.13 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.172 -0.955 . . . . 0.0 108.727 179.758 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.442 ' CG1' HD13 ' A' ' 27' ' ' LEU . 53.7 t -61.05 -37.04 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.431 -0.793 . . . . 0.0 109.013 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.4 t -60.39 -37.96 76.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.63 98.88 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.6 p -68.61 -35.48 77.38 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.669 ' CB ' HE21 ' A' ' 28' ' ' GLN . . . -57.15 -45.45 83.59 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -62.59 -39.28 93.22 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 18' ' ' VAL . 56.0 t0 -59.5 -41.5 90.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.339 -0.851 . . . . 0.0 109.562 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -62.96 -40.52 97.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.175 -0.953 . . . . 0.0 109.535 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.486 ' OD1' ' OE2' ' A' ' 62' ' ' GLU . 61.0 t0 -58.57 -39.92 81.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.173 -0.954 . . . . 0.0 108.853 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -62.14 -31.26 71.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.361 -0.837 . . . . 0.0 109.269 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 14' ' ' ASP . 15.1 t -84.01 -14.22 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.297 -0.877 . . . . 0.0 109.643 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.64 12.38 62.68 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 20' ' ' LEU . 11.0 mp -95.72 54.62 1.56 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.298 -1.119 . . . . 0.0 109.042 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.08 -29.14 55.29 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mm -58.32 -50.1 79.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.147 -1.207 . . . . 0.0 109.545 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -62.8 -44.94 99.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.212 -0.93 . . . . 0.0 108.814 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.45 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.62 -38.11 93.25 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.416 -1.473 . . . . 0.0 109.416 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.787 ' CE2' HD11 ' A' ' 29' ' ' LEU . 72.9 t80 -60.74 -47.95 84.01 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.096 -1.238 . . . . 0.0 110.622 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' SD ' ' A' ' 93' ' ' MET . 77.0 t80 -64.31 -47.18 80.42 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.041 -1.037 . . . . 0.0 111.497 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 12' ' ' ALA . 3.3 pp -70.65 -34.13 71.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.668 -1.27 . . . . 0.0 110.363 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.669 HE21 ' CB ' ' A' ' 12' ' ' ALA . 85.8 mm-40 -60.31 -41.14 92.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.578 -1.326 . . . . 0.0 108.55 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.787 HD11 ' CE2' ' A' ' 25' ' ' TYR . 74.5 mt -62.26 -40.54 96.55 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.634 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 74.6 t80 -66.43 -35.99 81.68 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.33 -0.857 . . . . 0.0 109.267 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.78 90.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.319 -0.863 . . . . 0.0 110.105 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.695 HG21 HD22 ' B' ' 199' ' ' LEU . 1.8 p -67.27 -43.81 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.91 -1.119 . . . . 0.0 108.996 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -60.76 -34.4 74.39 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.017 -1.052 . . . . 0.0 108.559 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.996 HD23 ' HB2' ' A' ' 5' ' ' ALA . 35.2 tp -63.05 -47.53 82.58 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.417 -0.802 . . . . 0.0 109.901 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.7 mt -59.32 -44.96 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.183 -0.948 . . . . 0.0 110.424 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.441 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.0 mp -62.56 -34.43 76.93 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.305 -0.872 . . . . 0.0 110.022 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.4 p -71.98 -25.88 62.03 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.981 -1.074 . . . . 0.0 109.718 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.59 ' OE1' ' NH1' ' A' ' 41' ' ' ARG . 98.8 mt-10 -68.08 150.17 48.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.324 -0.86 . . . . 0.0 110.248 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -57.18 151.13 16.13 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.443 -0.786 . . . . 0.0 109.124 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -57.54 136.39 56.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.291 -0.88 . . . . 0.0 110.113 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.59 ' NH1' ' OE1' ' A' ' 38' ' ' GLU . 78.8 mtt85 -122.38 171.45 9.06 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.1 m -56.7 167.42 0.75 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.224 -0.922 . . . . 0.0 109.96 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -55.6 -33.35 63.88 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.486 -0.759 . . . . 0.0 111.017 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.51 -43.13 55.67 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.811 -1.181 . . . . 0.0 109.202 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.674 ' CE ' ' HB1' ' A' ' 2' ' ' ALA . 6.6 tpt -65.26 -38.87 91.63 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.199 -0.938 . . . . 0.0 108.693 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.58 HG21 ' OE2' ' B' ' 192' ' ' GLU . 33.1 m -59.93 -39.94 87.22 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.482 -0.761 . . . . 0.0 109.269 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.7 98.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.338 -0.851 . . . . 0.0 108.749 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.506 HD23 ' CE ' ' A' ' 45' ' ' MET . 32.2 tp -61.36 -39.9 92.31 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.326 -0.859 . . . . 0.0 108.999 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.31 90.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.284 -0.885 . . . . 0.0 109.324 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.7 m -60.74 -41.29 95.09 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.224 -0.922 . . . . 0.0 109.183 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.2 -39.22 94.01 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.272 -0.893 . . . . 0.0 109.415 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.6 tp -59.99 -44.61 94.39 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.297 -0.877 . . . . 0.0 109.576 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.814 HD12 HD12 ' A' ' 56' ' ' ILE . 40.3 tp -61.65 -37.91 85.75 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.165 -0.959 . . . . 0.0 108.603 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -59.48 -38.55 81.14 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.282 -1.006 . . . . 0.0 108.282 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' PHE . 44.7 m -60.13 -42.32 94.54 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.814 HD12 HD12 ' A' ' 53' ' ' LEU . 82.1 mt -57.52 -52.87 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.205 -0.935 . . . . 0.0 108.687 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -61.05 -36.8 80.54 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.9 -32.53 73.85 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' THR . 76.9 t80 -58.63 -51.09 71.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.395 -0.816 . . . . 0.0 108.88 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.445 ' HE2' HD11 ' B' ' 202' ' ' LEU . 13.5 mttp -61.04 -38.72 87.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.179 -0.951 . . . . 0.0 108.829 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -81.74 -1.44 47.11 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.5 -0.75 . . . . 0.0 109.496 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.486 ' OE2' ' OD1' ' A' ' 16' ' ' ASP . 87.7 tt0 -48.54 -33.24 9.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.406 -0.809 . . . . 0.0 110.236 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.932 HD11 ' SD ' ' A' ' 79' ' ' MET . 76.6 mt -67.52 -40.92 85.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 120.985 -1.072 . . . . 0.0 109.721 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.61 -0.33 35.51 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.436 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 94.17 -2.9 69.12 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.34 -46.73 82.2 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.163 -1.198 . . . . 0.0 109.781 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 70' ' ' GLU . 14.8 m -65.65 -33.05 74.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.164 -0.96 . . . . 0.0 108.848 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.95 -28.24 68.83 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.604 -0.685 . . . . 0.0 109.615 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.24 95.84 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.926 -1.109 . . . . 0.0 110.066 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.4 mt-10 -134.87 145.28 48.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.308 -0.87 . . . . 0.0 110.005 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 48.76 42.33 19.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.224 -0.923 . . . . 0.0 109.233 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.7 p -64.04 -37.51 87.71 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.386 -0.821 . . . . 0.0 110.278 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.41 -43.39 98.94 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.964 -1.085 . . . . 0.0 109.755 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -68.73 -47.57 65.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.274 -0.891 . . . . 0.0 110.588 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.4 m -62.97 -44.69 95.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.093 -1.005 . . . . 0.0 110.054 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.3 -39.83 81.93 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.315 -0.865 . . . . 0.0 110.278 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -61.3 -45.28 95.11 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.222 -0.924 . . . . 0.0 110.442 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 72.0 t -67.35 -49.41 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.056 -1.028 . . . . 0.0 110.193 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.932 ' SD ' HD11 ' A' ' 63' ' ' ILE . 89.1 mtp -67.71 -46.49 72.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.088 -1.007 . . . . 0.0 110.636 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.516 ' O ' ' CG ' ' A' ' 84' ' ' HIS . 79.8 m-20 -66.54 -40.93 89.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.127 -0.983 . . . . 0.0 110.771 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.5 m -70.42 -49.16 51.68 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.179 -0.951 . . . . 0.0 111.45 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.3 mt -71.74 -34.33 69.42 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.923 -1.111 . . . . 0.0 111.114 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.9 mt -79.25 -41.81 23.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 120.944 -1.097 . . . . 0.0 110.859 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 6.9 m-70 -67.6 -48.28 67.28 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.026 -1.046 . . . . 0.0 111.006 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -88.02 113.5 23.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.064 -1.022 . . . . 0.0 110.249 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -61.64 -37.1 82.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.36 -0.838 . . . . 0.0 110.031 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.38 -41.84 94.62 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.072 -1.017 . . . . 0.0 109.636 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -62.2 -33.04 73.8 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.162 -0.961 . . . . 0.0 108.673 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.6 -42.46 74.39 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.33 -0.856 . . . . 0.0 109.7 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -66.18 -48.13 71.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.922 . . . . 0.0 110.632 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.82 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -63.89 -45.21 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.809 -1.182 . . . . 0.0 108.853 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.82 ' N ' HD12 ' A' ' 91' ' ' ILE . 67.0 t80 -64.69 -45.14 87.91 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.528 ' SD ' ' CD2' ' A' ' 26' ' ' TYR . 27.5 ttp -68.23 -42.32 79.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.577 -0.702 . . . . 0.0 109.914 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.5 tp -61.6 -40.67 95.63 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.142 -0.974 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -60.69 -48.33 82.27 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.198 -0.939 . . . . 0.0 109.506 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -70.88 -45.45 64.34 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.411 -0.806 . . . . 0.0 109.329 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.2 m -57.46 -43.51 84.07 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.439 -0.788 . . . . 0.0 109.788 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 91.4 mmm -66.98 -43.25 83.51 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.069 -1.019 . . . . 0.0 109.491 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.7 p -67.79 -36.4 80.38 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.273 -0.892 . . . . 0.0 109.083 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 31.5 tp -63.63 -42.02 98.2 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.427 -0.796 . . . . 0.0 109.227 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.621 ' CE2' HD11 ' A' ' 105' ' ' LEU . 80.0 t80 -60.88 -43.59 98.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.483 -0.76 . . . . 0.0 109.575 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -58.71 -41.08 85.48 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.281 -0.887 . . . . 0.0 109.578 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.67 -39.23 93.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.401 -0.812 . . . . 0.0 109.715 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -61.15 -41.41 96.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.103 -0.998 . . . . 0.0 109.397 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.621 HD11 ' CE2' ' A' ' 101' ' ' TYR . 79.0 mt -60.24 -45.05 94.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.212 -0.93 . . . . 0.0 109.402 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -60.85 -39.29 88.57 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.15 -0.969 . . . . 0.0 109.717 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.579 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -61.76 -39.37 91.4 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.215 -0.928 . . . . 0.0 109.986 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 157' ' ' TYR . 78.1 mt -63.7 -44.28 94.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.008 -1.057 . . . . 0.0 109.553 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -79.02 -52.73 7.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.261 -0.899 . . . . 0.0 110.142 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -77.73 -23.33 49.4 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.371 -0.831 . . . . 0.0 110.337 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -112.56 155.46 16.24 Favored Glycine 0 N--CA 1.495 2.581 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -68.11 154.15 73.16 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.876 2.384 . . . . 0.0 111.844 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.571 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 30.1 m-90 -87.1 120.86 28.82 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.075 -1.016 . . . . 0.0 109.784 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.4 m-20 -134.61 166.76 22.17 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.343 -0.848 . . . . 0.0 109.28 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.5 m -64.04 -32.28 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.243 -0.911 . . . . 0.0 109.372 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.4 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.8 mtm -59.79 -41.5 91.29 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.303 -0.873 . . . . 0.0 109.454 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 67.2 mt -66.06 -37.02 84.77 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.246 -0.909 . . . . 0.0 109.178 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.54 ' HE2' HD12 ' A' ' 161' ' ' LEU . 54.8 mttt -57.79 -44.32 86.2 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.16 -0.963 . . . . 0.0 109.056 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -64.17 -40.05 95.29 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.416 -0.803 . . . . 0.0 109.482 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.5 m -61.79 -39.43 91.68 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.311 -0.868 . . . . 0.0 109.408 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.583 HD23 HD13 ' A' ' 158' ' ' LEU . 23.9 tp -63.63 -41.77 98.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.404 -0.81 . . . . 0.0 109.419 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.418 ' CE2' HD21 ' A' ' 158' ' ' LEU . 71.2 m95 -59.83 -39.71 86.01 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.131 -0.981 . . . . 0.0 109.493 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.7 m -63.35 -44.05 95.94 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.241 -0.912 . . . . 0.0 109.585 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 78.3 m -61.31 -46.97 88.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.175 -0.953 . . . . 0.0 109.454 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.19 -37.84 74.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.179 -0.951 . . . . 0.0 108.926 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -58.59 -39.9 81.7 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.271 -0.893 . . . . 0.0 108.955 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.53 -42.42 99.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.308 -0.87 . . . . 0.0 109.351 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -67.29 -42.72 83.3 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.146 -0.971 . . . . 0.0 109.827 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 133' ' ' HIS . 22.9 t -63.67 -43.44 96.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.228 -0.92 . . . . 0.0 110.059 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.634 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 60.2 m -68.31 -49.54 59.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.028 -1.045 . . . . 0.0 110.234 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 93.7 mt -65.97 -50.34 70.46 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.204 -0.935 . . . . 0.0 110.403 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.696 HD21 HE22 ' A' ' 148' ' ' GLN . 41.0 tp -65.51 -42.04 92.49 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.35 -0.844 . . . . 0.0 110.419 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . 0.436 ' CB ' ' O ' ' A' ' 129' ' ' SER . 22.7 t-80 -61.07 -49.58 76.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.089 -1.007 . . . . 0.0 110.477 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 134' ' ' LEU . 34.8 tp -64.99 -43.54 92.24 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.05 -1.031 . . . . 0.0 109.728 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.407 ' HA ' HD22 ' A' ' 138' ' ' ASN . 86.7 m95 -87.21 0.92 54.6 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.4 -0.812 . . . . 0.0 110.354 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -52.26 -38.46 58.27 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.129 -0.982 . . . . 0.0 109.998 -179.416 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.84 -25.12 68.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.152 -0.967 . . . . 0.0 109.48 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' A' ' 135' ' ' TRP . 51.8 m-80 -89.57 -4.53 57.82 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.231 -0.918 . . . . 0.0 110.21 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.2 mm -104.57 145.99 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.15 -0.969 . . . . 0.0 109.206 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 55.7 p -77.4 155.54 31.77 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.233 -0.917 . . . . 0.0 109.139 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.51 -37.97 73.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.231 -0.918 . . . . 0.0 109.717 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.0 m -74.0 -45.25 51.09 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.89 -1.131 . . . . 0.0 109.502 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.3 m -63.81 -45.51 89.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.892 . . . . 0.0 109.646 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.584 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.7 OUTLIER -62.04 -39.16 91.38 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.128 -0.982 . . . . 0.0 108.477 179.387 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . 0.426 ' N ' ' CG2' ' A' ' 144' ' ' THR . 0.3 OUTLIER -56.48 -42.37 78.14 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.348 -0.845 . . . . 0.0 109.063 179.677 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.1 m -61.53 -44.79 96.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.3 -0.875 . . . . 0.0 109.675 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 147' ' ' LEU . 7.0 mp -62.37 -38.95 91.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.141 -0.975 . . . . 0.0 108.695 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.696 HE22 HD21 ' A' ' 132' ' ' LEU . 0.2 OUTLIER -62.2 -36.82 83.09 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.342 -0.849 . . . . 0.0 109.058 179.3 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -62.27 -42.03 98.99 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.281 -0.887 . . . . 0.0 109.713 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -62.71 -42.45 99.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.088 -1.007 . . . . 0.0 108.976 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.505 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 89.1 mt -65.23 -40.67 89.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -58.55 -39.94 81.65 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.568 ' HA ' HD12 ' A' ' 156' ' ' ILE . 77.0 t80 -58.12 -42.73 86.38 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . 0.681 ' SG ' ' N ' ' A' ' 155' ' ' LYS . 1.6 p -64.68 -48.76 73.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.256 -0.903 . . . . 0.0 108.724 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . 0.681 ' N ' ' SG ' ' A' ' 154' ' ' CYS . 74.9 mttt -61.75 -35.07 77.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.235 -0.916 . . . . 0.0 109.043 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 153' ' ' TYR . 21.3 mt -58.33 -48.52 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 O-C-N 121.288 -0.882 . . . . 0.0 109.731 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.571 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 58.8 t80 -63.66 -40.91 98.02 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.583 HD13 HD23 ' A' ' 121' ' ' LEU . 30.6 tp -60.24 -40.43 90.24 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.64 -0.663 . . . . 0.0 109.22 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.3 t -60.46 -39.58 88.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.21 -0.931 . . . . 0.0 108.677 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -61.51 -37.37 83.45 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.54 HD12 ' HE2' ' A' ' 118' ' ' LYS . 3.1 mm? -61.88 -38.16 87.28 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.53 86.91 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.425 -0.797 . . . . 0.0 109.111 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -81.77 -12.09 58.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.303 -0.873 . . . . 0.0 109.37 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.61 3.61 77.44 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -94.73 145.71 24.68 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.212 -1.169 . . . . 0.0 109.69 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.409 HG21 ' CH2' ' A' ' 113' ' ' TRP . 41.6 mm . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.481 -0.762 . . . . 0.0 109.456 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 192' ' ' GLU . . . . . 0.58 ' OE2' HG21 ' A' ' 46' ' ' THR . 98.7 mt-10 . . . . . 0 N--CA 1.487 1.393 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -61.75 -40.6 95.69 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.23 -0.919 . . . . 0.0 109.073 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -61.3 -42.14 98.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.333 -0.854 . . . . 0.0 109.381 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 195' ' ' LEU . . . . . 0.655 HD11 HD23 ' A' ' 53' ' ' LEU . 22.8 tp -59.22 -43.24 92.33 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.261 -0.899 . . . . 0.0 109.153 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.27 95.47 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.389 -0.82 . . . . 0.0 109.028 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.12 -35.29 80.65 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.348 -0.845 . . . . 0.0 109.091 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -60.07 -44.15 94.96 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 109.093 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 199' ' ' LEU . . . . . 0.695 HD22 HG21 ' A' ' 32' ' ' VAL . 8.1 tp -63.27 -43.01 99.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.194 -0.942 . . . . 0.0 109.21 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -59.02 -36.77 75.54 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.324 -0.86 . . . . 0.0 109.356 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.64 89.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.148 -0.97 . . . . 0.0 108.608 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 202' ' ' LEU . . . . . 0.445 HD11 ' HE2' ' A' ' 60' ' ' LYS . 13.7 tp -61.48 -38.49 87.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.526 -0.733 . . . . 0.0 109.197 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -87.7 -7.27 57.6 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.41 -0.806 . . . . 0.0 109.454 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 CA-C-O 117.911 -1.494 . . . . 0.0 109.531 179.912 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mtp . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.314 0.578 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.19 83.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.214 -0.929 . . . . 0.0 109.192 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.9 p -64.47 -34.92 79.33 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.156 -0.965 . . . . 0.0 108.947 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -58.94 -42.36 89.6 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.795 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.91 -39.75 94.89 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.17 95.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.414 -0.804 . . . . 0.0 109.226 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -41.53 93.26 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.48 -37.15 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.461 -0.775 . . . . 0.0 109.045 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.83 -37.81 77.4 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.73 98.44 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.1 p -68.94 -33.42 73.69 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.403 -0.811 . . . . 0.0 108.822 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.566 ' CB ' HE21 ' A' ' 28' ' ' GLN . . . -58.92 -44.96 91.39 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.339 -0.851 . . . . 0.0 109.075 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -63.43 -44.7 93.79 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.242 -0.911 . . . . 0.0 108.993 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -61.79 -40.27 94.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.387 -0.821 . . . . 0.0 109.168 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.01 -41.71 98.36 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.463 -0.773 . . . . 0.0 109.244 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -58.8 -38.6 78.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.279 -0.888 . . . . 0.0 108.77 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -60.46 -29.34 68.98 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 18' ' ' VAL . 59.1 t -83.52 -10.95 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.413 -0.804 . . . . 0.0 109.61 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.4 18.22 53.23 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.8 mt -95.7 54.23 1.52 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -1.127 . . . . 0.0 109.119 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.07 -34.44 66.23 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 22' ' ' ILE . 9.3 mm -61.33 -51.64 70.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.124 -1.221 . . . . 0.0 109.756 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.2 mm -64.88 -44.14 96.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.31 -0.868 . . . . 0.0 109.304 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.533 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.18 -38.91 93.83 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.89 ' CE2' HD11 ' A' ' 29' ' ' LEU . 72.8 t80 -63.96 -47.43 80.47 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.041 -1.27 . . . . 0.0 110.765 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.655 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 54.0 t80 -60.59 -46.62 89.57 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.195 -0.941 . . . . 0.0 111.455 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.533 HD21 ' HA2' ' A' ' 24' ' ' GLY . 2.2 pp -67.56 -34.13 76.44 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.717 -1.239 . . . . 0.0 110.232 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.772 ' OE1' HD11 ' A' ' 52' ' ' LEU . 91.0 mm-40 -60.08 -39.99 88.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.601 -1.312 . . . . 0.0 108.215 178.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.89 HD11 ' CE2' ' A' ' 25' ' ' TYR . 90.6 mt -61.93 -39.19 91.21 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.657 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 87.6 t80 -64.82 -38.29 90.49 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.51 -0.744 . . . . 0.0 109.848 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.3 -45.91 92.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.191 -0.943 . . . . 0.0 110.106 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.618 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -66.88 -44.64 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.927 -1.108 . . . . 0.0 109.266 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.61 -34.14 73.8 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.047 -1.033 . . . . 0.0 108.746 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.795 HD23 ' HB2' ' A' ' 5' ' ' ALA . 22.3 tp -63.88 -42.68 97.42 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.281 -0.887 . . . . 0.0 109.418 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.11 -47.28 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.267 -0.895 . . . . 0.0 109.9 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.9 mp -62.8 -35.4 79.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.195 -0.941 . . . . 0.0 109.261 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.9 t -84.26 -0.75 53.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -0.902 . . . . 0.0 108.794 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.445 ' HG2' ' HE ' ' A' ' 41' ' ' ARG . 49.0 tp10 -86.29 150.77 24.12 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.612 -0.68 . . . . 0.0 109.822 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -55.98 151.46 11.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.327 -0.858 . . . . 0.0 109.146 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -57.84 129.52 42.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 110.263 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.445 ' HE ' ' HG2' ' A' ' 38' ' ' GLU . 95.5 mtt-85 -122.07 170.63 9.66 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.3 p -57.76 163.57 2.52 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.198 -0.939 . . . . 0.0 109.749 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -57.6 -27.65 62.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.642 -0.661 . . . . 0.0 110.89 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -52.99 -45.39 67.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.786 -1.196 . . . . 0.0 109.799 -178.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 50.0 tpp -68.36 -36.93 79.96 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.95 -1.094 . . . . 0.0 108.921 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.1 m -59.67 -40.94 89.46 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.413 -0.804 . . . . 0.0 109.13 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.56 97.91 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.257 -0.902 . . . . 0.0 108.826 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.2 tp -60.11 -39.26 85.58 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.346 -0.847 . . . . 0.0 109.201 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.86 92.66 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.347 -0.846 . . . . 0.0 109.25 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 m -60.43 -41.65 94.45 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.217 -0.927 . . . . 0.0 108.952 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.86 -38.08 86.91 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.349 -0.845 . . . . 0.0 108.877 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.772 HD11 ' OE1' ' A' ' 28' ' ' GLN . 32.9 tp -59.79 -42.85 94.3 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.289 -0.882 . . . . 0.0 109.261 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.451 HD12 HD12 ' A' ' 56' ' ' ILE . 37.3 tp -61.26 -38.99 88.7 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.221 -0.924 . . . . 0.0 108.715 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -59.6 -39.55 84.58 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 59' ' ' PHE . 53.3 m -60.42 -41.8 94.71 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.633 -0.667 . . . . 0.0 109.385 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.451 HD12 HD12 ' A' ' 53' ' ' LEU . 87.7 mt -61.58 -54.42 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.208 -0.932 . . . . 0.0 109.162 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' OE2' ' NZ ' ' A' ' 61' ' ' LYS . 85.0 tt0 -63.32 -39.44 94.55 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.43 -31.66 70.14 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.484 -0.76 . . . . 0.0 108.983 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 55' ' ' THR . 70.3 t80 -59.02 -54.35 48.08 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.325 -0.859 . . . . 0.0 109.754 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.486 ' HE3' HD11 ' B' ' 202' ' ' LEU . 25.4 mttt -62.82 -44.14 96.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.078 -1.014 . . . . 0.0 109.594 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.429 ' NZ ' ' OE2' ' A' ' 57' ' ' GLU . 18.4 mttt -83.15 -2.48 55.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.418 -0.801 . . . . 0.0 110.521 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 58' ' ' ALA . 84.5 tt0 -49.33 -36.56 21.61 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.077 -1.015 . . . . 0.0 109.543 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.603 ' CD1' HD21 ' A' ' 76' ' ' LEU . 92.7 mt -78.54 -41.21 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.801 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.82 -6.05 59.98 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.54 -8.47 77.22 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -69.08 -42.7 75.85 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.127 -1.219 . . . . 0.0 109.809 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.0 t -61.21 -22.25 64.59 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.401 -0.812 . . . . 0.0 110.112 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -52.8 -27.82 19.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.195 -0.941 . . . . 0.0 109.355 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.56 -26.85 34.66 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.11 -0.994 . . . . 0.0 108.918 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.601 ' O ' ' N ' ' A' ' 72' ' ' SER . 95.4 mt-10 -108.43 176.69 5.03 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.541 -0.724 . . . . 0.0 109.711 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' GLU . 92.4 m-20 -43.12 -15.22 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.484 -0.76 . . . . 0.0 109.92 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.601 ' N ' ' O ' ' A' ' 70' ' ' GLU . 1.8 t -50.41 -32.13 16.84 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.988 -1.07 . . . . 0.0 108.73 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.402 ' HA ' HD12 ' A' ' 76' ' ' LEU . 56.7 t0 -58.57 -41.46 85.75 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -60.77 -40.71 93.58 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -60.47 -37.4 80.88 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.603 HD21 ' CD1' ' A' ' 63' ' ' ILE . 97.3 mt -60.34 -40.33 90.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.351 -0.843 . . . . 0.0 109.023 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -60.72 -45.38 94.49 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.092 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.66 -48.93 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.28 -0.888 . . . . 0.0 109.89 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 89.3 mtp -66.93 -45.36 78.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.314 -0.866 . . . . 0.0 110.433 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.511 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 84.5 m-20 -63.02 -39.87 96.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.024 -1.048 . . . . 0.0 110.58 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.529 HG23 ' HZ2' ' A' ' 88' ' ' LYS . 63.2 m -64.75 -48.47 74.45 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.066 -1.021 . . . . 0.0 111.185 -178.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.1 mt -72.88 -34.08 66.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.054 -1.029 . . . . 0.0 110.974 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.9 mt -77.53 -41.54 29.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.0 -1.062 . . . . 0.0 111.062 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.511 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 64.5 m80 -67.52 -47.68 69.25 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.065 -1.022 . . . . 0.0 111.044 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -84.15 115.33 22.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.872 -1.143 . . . . 0.0 110.138 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -61.9 -37.95 86.53 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.396 -0.815 . . . . 0.0 109.869 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.6 -43.5 98.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.072 -1.017 . . . . 0.0 109.623 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.529 ' HZ2' HG23 ' A' ' 81' ' ' THR . 96.0 mttt -63.97 -32.96 74.68 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.167 -0.958 . . . . 0.0 108.854 179.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.61 -40.85 72.92 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.225 -0.922 . . . . 0.0 109.608 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.515 ' HG3' HG23 ' A' ' 131' ' ' ILE . 3.8 ttpt -64.3 -48.46 75.57 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.346 -0.846 . . . . 0.0 109.972 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.681 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -69.39 -39.02 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.386 -0.821 . . . . 0.0 109.341 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.681 ' N ' HD12 ' A' ' 91' ' ' ILE . 59.8 t80 -58.78 -45.41 89.87 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.655 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 83.7 mtp -64.44 -38.6 91.61 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.328 -0.858 . . . . 0.0 109.232 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.6 tp -60.97 -39.55 90.01 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.068 -1.02 . . . . 0.0 109.391 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -66.86 -49.18 66.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.205 -0.935 . . . . 0.0 110.081 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.513 ' CE1' ' CZ ' ' A' ' 92' ' ' TYR . 59.0 m-85 -79.05 -49.2 13.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.257 -0.902 . . . . 0.0 109.94 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.527 ' N ' ' O ' ' A' ' 93' ' ' MET . 20.6 m -52.8 -42.75 65.36 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.098 -1.002 . . . . 0.0 108.576 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 52.8 ttm -65.26 -39.69 92.96 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 83.8 p -64.13 -34.12 77.34 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.454 -0.778 . . . . 0.0 109.39 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 100' ' ' LEU . 85.8 mt -63.46 -43.69 96.64 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.142 -0.974 . . . . 0.0 109.323 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.671 ' CE2' HD11 ' A' ' 105' ' ' LEU . 88.3 t80 -61.33 -44.33 97.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.908 . . . . 0.0 109.78 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -58.84 -39.94 82.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.22 -0.925 . . . . 0.0 109.377 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -61.79 -41.09 97.29 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.353 -0.842 . . . . 0.0 109.631 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.559 ' HZ1' ' C ' ' A' ' 120' ' ' SER . 31.7 mmtp -61.34 -40.87 95.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.143 -0.973 . . . . 0.0 109.501 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.671 HD11 ' CE2' ' A' ' 101' ' ' TYR . 75.9 mt -58.67 -45.76 88.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.116 -0.99 . . . . 0.0 109.124 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -62.61 -39.76 94.8 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.195 -0.941 . . . . 0.0 109.923 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.3 mt-30 -62.25 -41.6 98.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.183 -0.948 . . . . 0.0 110.041 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 161' ' ' LEU . 83.8 mt -67.53 -37.35 82.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.867 -1.146 . . . . 0.0 109.318 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.565 ' NZ ' ' OD1' ' A' ' 110' ' ' ASP . 15.7 ttpp -74.47 -52.62 11.47 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.477 -0.764 . . . . 0.0 110.772 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.565 ' OD1' ' NZ ' ' A' ' 109' ' ' LYS . 89.7 m-20 -98.1 -22.46 16.21 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.293 -0.88 . . . . 0.0 110.715 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.82 155.34 17.75 Favored Glycine 0 N--CA 1.494 2.517 0 C-N-CA 119.673 -1.251 . . . . 0.0 110.315 -178.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -69.74 154.21 68.07 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.93 2.42 . . . . 0.0 112.065 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.504 ' CD1' ' N ' ' A' ' 113' ' ' TRP . 0.8 OUTLIER -89.17 122.65 32.67 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.171 -0.956 . . . . 0.0 109.551 -179.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 42.4 t0 -135.12 164.87 26.68 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.298 -0.876 . . . . 0.0 109.26 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.468 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 4.2 m -61.66 -32.19 53.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.379 -0.825 . . . . 0.0 109.707 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.426 ' N ' HG23 ' A' ' 115' ' ' VAL . 68.3 mtm -59.59 -40.45 87.45 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.271 -0.893 . . . . 0.0 109.855 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 71.4 mt -65.11 -38.15 89.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.182 -0.949 . . . . 0.0 109.547 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -61.87 -42.37 98.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.294 -0.879 . . . . 0.0 109.784 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -63.67 -43.16 97.51 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.27 -0.894 . . . . 0.0 109.806 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.559 ' C ' ' HZ1' ' A' ' 104' ' ' LYS . 18.8 m -63.17 -39.45 94.69 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.333 -0.854 . . . . 0.0 109.597 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.805 HD23 HD13 ' A' ' 158' ' ' LEU . 38.0 tp -62.92 -41.35 99.44 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.25 -0.906 . . . . 0.0 109.463 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.647 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 65.4 m95 -60.33 -39.54 87.43 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.203 -0.935 . . . . 0.0 109.271 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 76.6 m -62.08 -45.19 94.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.234 -0.916 . . . . 0.0 109.488 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 82.4 m -61.28 -48.19 82.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.14 -0.975 . . . . 0.0 109.659 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 71.1 mt -60.35 -36.66 70.43 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 O-C-N 121.192 -0.943 . . . . 0.0 108.892 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.93 -39.72 82.42 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.293 -0.88 . . . . 0.0 108.779 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.35 -40.89 97.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.262 -0.899 . . . . 0.0 109.084 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.423 ' CE2' HG22 ' A' ' 97' ' ' THR . 35.5 m-85 -64.09 -42.63 96.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.275 -0.891 . . . . 0.0 109.805 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.8 t -61.72 -42.15 98.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.113 -0.992 . . . . 0.0 109.813 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.657 ' SG ' ' CD1' ' A' ' 30' ' ' TYR . 60.0 m -68.47 -49.2 61.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.145 -0.972 . . . . 0.0 110.093 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.515 HG23 ' HG3' ' A' ' 90' ' ' LYS . 94.8 mt -62.7 -50.4 79.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 O-C-N 121.17 -0.956 . . . . 0.0 110.439 -179.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.6 ' CD1' HD11 ' A' ' 151' ' ' ILE . 85.2 mt -67.22 -39.32 86.24 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.237 -0.914 . . . . 0.0 110.355 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -62.33 -49.65 74.73 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.134 -0.979 . . . . 0.0 110.269 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 35.0 tp -65.98 -42.81 89.35 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.058 -1.026 . . . . 0.0 109.802 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.416 ' HA ' HD22 ' A' ' 138' ' ' ASN . 89.5 m95 -86.86 1.36 52.71 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.292 -0.88 . . . . 0.0 110.272 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 132' ' ' LEU . 28.3 tptp -51.16 -37.77 48.25 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.178 -0.951 . . . . 0.0 109.981 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -63.92 -24.01 67.57 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.067 -1.021 . . . . 0.0 109.495 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.416 HD22 ' HA ' ' A' ' 135' ' ' TRP . 50.0 m-80 -92.2 -3.08 56.08 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.204 -0.935 . . . . 0.0 110.487 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.9 mm -103.99 139.43 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.033 -1.042 . . . . 0.0 109.568 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 52.1 p -77.86 155.97 30.68 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.383 -0.823 . . . . 0.0 108.998 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -50.62 -50.37 54.38 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.034 -1.041 . . . . 0.0 109.624 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 38.8 m -67.08 -42.68 84.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.975 -1.078 . . . . 0.0 109.246 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.4 t -59.16 -38.28 79.38 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.284 -0.885 . . . . 0.0 108.758 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.574 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -63.9 -39.17 93.57 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.196 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . 0.612 ' C ' HD22 ' A' ' 145' ' ' ASN . 0.2 OUTLIER -58.79 -40.75 84.96 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.351 -0.843 . . . . 0.0 109.118 179.554 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.3 m -62.93 -48.64 78.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -0.868 . . . . 0.0 109.658 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 56.1 mt -65.54 -43.45 89.93 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.205 -0.934 . . . . 0.0 108.796 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.587 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -64.37 -33.47 75.92 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -60.25 -44.45 95.26 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.354 -0.841 . . . . 0.0 109.109 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -62.81 -41.67 99.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.178 -0.951 . . . . 0.0 108.934 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.6 HD11 ' CD1' ' A' ' 132' ' ' LEU . 84.8 mt -62.73 -39.5 85.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.333 -0.855 . . . . 0.0 108.887 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -57.53 -41.52 81.05 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -58.34 -41.65 85.07 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . 0.669 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 70.2 m -62.85 -50.86 69.26 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.436 -0.79 . . . . 0.0 108.88 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -62.64 -37.54 86.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.313 -0.867 . . . . 0.0 109.322 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 31.7 mt -58.54 -48.66 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 O-C-N 121.246 -0.909 . . . . 0.0 110.146 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.554 ' CE2' HD11 ' A' ' 166' ' ' ILE . 1.6 t80 -63.62 -40.77 97.73 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.805 HD13 HD23 ' A' ' 121' ' ' LEU . 38.5 tp -58.93 -40.34 84.31 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.5 m -61.96 -37.15 83.68 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.361 -0.837 . . . . 0.0 108.98 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 165' ' ' GLU . 34.8 mttm -61.03 -43.2 99.24 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.276 -0.89 . . . . 0.0 109.181 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 108' ' ' LEU . 8.5 mp -68.52 -33.32 73.92 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.223 -0.923 . . . . 0.0 109.32 179.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.9 82.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -0.912 . . . . 0.0 109.259 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -85.16 -5.8 59.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.207 -0.933 . . . . 0.0 109.213 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.3 -2.64 78.68 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 160' ' ' LYS . 84.2 tt0 -95.46 148.44 22.48 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.336 -1.096 . . . . 0.0 109.51 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.554 HD11 ' CE2' ' A' ' 157' ' ' TYR . 8.3 tp . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.463 -0.773 . . . . 0.0 109.433 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -59.65 -43.03 94.04 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.313 -0.867 . . . . 0.0 109.23 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -62.96 -43.28 99.24 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.172 -0.955 . . . . 0.0 109.196 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.57 -41.4 98.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.383 -0.823 . . . . 0.0 108.896 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.87 81.74 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.308 -0.87 . . . . 0.0 109.406 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -64.48 -35.78 82.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.13 -0.981 . . . . 0.0 109.254 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -66.47 -42.99 86.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.082 -1.011 . . . . 0.0 109.215 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 199' ' ' LEU . . . . . 0.618 HD22 HG21 ' A' ' 32' ' ' VAL . 7.9 tp -67.61 -47.2 70.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.378 -0.826 . . . . 0.0 109.763 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -60.02 -36.35 77.04 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.146 -0.971 . . . . 0.0 109.427 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.34 86.2 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.192 -0.943 . . . . 0.0 108.663 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 202' ' ' LEU . . . . . 0.486 HD11 ' HE3' ' A' ' 60' ' ' LYS . 18.8 tp -61.87 -38.8 89.63 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.391 -0.818 . . . . 0.0 109.233 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -94.87 0.26 54.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 0.0 109.451 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 118.032 -1.427 . . . . 0.0 109.588 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.618 ' HB1' ' CE ' ' A' ' 45' ' ' MET . . . -59.85 -39.04 83.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.184 -0.948 . . . . 0.0 109.127 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -63.47 -39.17 93.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.231 -0.918 . . . . 0.0 109.035 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.85 -40.12 79.36 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.9 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.67 -39.68 94.09 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.71 95.83 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.498 -0.751 . . . . 0.0 109.251 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.646 ' NH2' ' SG ' ' A' ' 123' ' ' CYS . 0.0 OUTLIER -60.33 -43.16 96.66 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.182 -0.949 . . . . 0.0 108.557 179.547 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.466 ' CG1' HD13 ' A' ' 27' ' ' LEU . 46.2 t -61.05 -37.1 76.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 121.455 -0.778 . . . . 0.0 108.979 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.439 HG22 HE22 ' A' ' 28' ' ' GLN . 73.5 t -60.49 -37.84 76.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.03 -41.14 96.0 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.433 ' H ' HG23 ' A' ' 11' ' ' THR . 9.3 p -70.57 -35.29 72.99 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.401 -0.812 . . . . 0.0 108.841 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.625 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -56.31 -48.2 77.18 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.368 -0.832 . . . . 0.0 108.794 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -63.57 -38.34 90.74 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.287 -0.883 . . . . 0.0 108.837 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.435 ' O ' HG23 ' A' ' 18' ' ' VAL . 55.9 t0 -60.01 -41.85 93.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.357 -0.839 . . . . 0.0 109.779 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -62.95 -41.29 99.46 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.225 -0.922 . . . . 0.0 109.554 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -58.73 -40.12 82.85 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.141 -0.974 . . . . 0.0 109.056 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -62.23 -32.85 73.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.375 -0.828 . . . . 0.0 109.586 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 14' ' ' ASP . 15.8 t -84.44 -8.2 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.382 -0.824 . . . . 0.0 109.655 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.62 7.68 68.72 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 20' ' ' LEU . 11.1 mp -95.95 49.85 1.17 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.259 -1.142 . . . . 0.0 109.035 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.48 -29.05 52.72 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.6 mm -58.33 -48.68 84.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 121.161 -1.199 . . . . 0.0 109.737 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mm -65.44 -45.44 92.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.073 -1.017 . . . . 0.0 109.37 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.567 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.97 -37.32 92.49 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.882 ' CE2' HD11 ' A' ' 29' ' ' LEU . 68.8 t80 -64.38 -47.64 78.48 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.341 -1.094 . . . . 0.0 111.002 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.668 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 81.0 t80 -62.4 -47.09 85.67 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.049 -1.032 . . . . 0.0 111.098 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.625 HD11 ' HB2' ' A' ' 12' ' ' ALA . 3.3 pp -67.45 -32.53 73.45 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.782 -1.198 . . . . 0.0 109.295 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.562 ' N ' HD12 ' A' ' 27' ' ' LEU . 54.6 tp60 -59.97 -41.91 92.98 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.882 HD11 ' CE2' ' A' ' 25' ' ' TYR . 87.4 mt -61.66 -37.89 85.7 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 178.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.662 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 79.4 t80 -64.99 -36.59 84.88 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.335 -0.853 . . . . 0.0 109.296 179.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.31 -46.05 91.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.341 -0.849 . . . . 0.0 110.251 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.794 HG21 HD22 ' B' ' 199' ' ' LEU . 1.5 p -64.69 -42.27 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.875 -1.141 . . . . 0.0 109.195 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.6 -35.52 78.08 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.904 -1.122 . . . . 0.0 108.875 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.9 HD23 ' HB2' ' A' ' 5' ' ' ALA . 27.0 tp -64.29 -42.24 96.49 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.297 -0.877 . . . . 0.0 109.93 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.38 -48.29 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.157 -0.965 . . . . 0.0 110.122 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.6 mp -65.52 -36.49 84.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.293 -0.88 . . . . 0.0 109.396 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.2 p -75.19 -20.12 59.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.244 -0.91 . . . . 0.0 108.79 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.525 ' OE2' ' NE ' ' A' ' 41' ' ' ARG . 84.3 tt0 -80.56 150.78 29.44 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.772 -0.58 . . . . 0.0 109.738 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.53 150.18 15.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -0.9 . . . . 0.0 109.531 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -58.44 141.05 52.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.418 -0.802 . . . . 0.0 110.32 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.525 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 83.6 mtt-85 -122.48 170.52 9.9 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.674 -0.641 . . . . 0.0 109.42 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 p -57.53 169.57 0.65 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.17 -0.956 . . . . 0.0 109.867 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.47 -32.08 64.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.539 -0.726 . . . . 0.0 110.716 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.85 -41.92 58.29 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.889 -1.132 . . . . 0.0 109.213 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.618 ' CE ' ' HB1' ' A' ' 2' ' ' ALA . 7.5 tpt -64.56 -38.98 92.87 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.281 -0.887 . . . . 0.0 108.778 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.5 m -60.99 -40.01 91.84 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.561 -0.712 . . . . 0.0 109.458 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.87 99.62 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.305 -0.872 . . . . 0.0 109.004 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 48' ' ' LEU . 87.2 mt -62.43 -37.23 85.05 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.314 -0.866 . . . . 0.0 109.111 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.89 92.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.25 -0.906 . . . . 0.0 108.805 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.0 m -61.63 -40.97 96.76 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.447 -0.783 . . . . 0.0 109.135 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.01 -41.71 97.06 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.314 -0.866 . . . . 0.0 109.243 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.4 mt -60.79 -39.34 88.52 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.19 -0.943 . . . . 0.0 109.077 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.661 HD22 HD11 ' B' ' 195' ' ' LEU . 19.3 tp -60.38 -40.08 89.57 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.202 -0.936 . . . . 0.0 108.757 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -59.91 -40.42 88.79 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.7 m -60.42 -41.2 93.48 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.574 -0.704 . . . . 0.0 109.488 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.555 HG21 HD22 ' B' ' 202' ' ' LEU . 78.2 mt -58.64 -51.69 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.937 . . . . 0.0 108.953 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.96 -36.51 81.66 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -68.56 -31.37 70.53 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' THR . 72.9 t80 -58.52 -53.97 52.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.343 -0.848 . . . . 0.0 108.974 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.89 -39.86 93.4 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.113 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -82.41 -1.98 51.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.393 -0.817 . . . . 0.0 109.988 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 58' ' ' ALA . 20.1 pt-20 -49.1 -31.1 7.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.198 -0.938 . . . . 0.0 110.157 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.1 pt -68.25 -34.02 63.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.05 -1.031 . . . . 0.0 109.75 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.32 -3.99 13.92 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.41 0.18 65.31 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.2 -45.37 85.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.141 -1.211 . . . . 0.0 109.436 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.8 m -62.6 -31.57 72.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.432 -0.792 . . . . 0.0 109.308 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.64 -28.59 67.36 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.398 -0.814 . . . . 0.0 109.814 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.08 97.43 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.062 -1.024 . . . . 0.0 110.283 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -134.68 145.38 48.48 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.286 -0.883 . . . . 0.0 109.968 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 48.64 42.62 19.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.286 -0.884 . . . . 0.0 109.182 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.8 p -63.32 -38.41 91.06 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.314 -0.866 . . . . 0.0 110.163 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -62.85 -41.91 99.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.031 -1.043 . . . . 0.0 109.878 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -65.03 -44.95 87.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.283 -0.885 . . . . 0.0 110.593 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.8 p -64.85 -41.49 95.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.991 -1.068 . . . . 0.0 110.134 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 96.2 mt -68.26 -38.26 81.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 109.922 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -61.66 -45.54 93.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.282 -0.886 . . . . 0.0 110.302 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.4 t -69.28 -49.61 59.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.2 -0.937 . . . . 0.0 110.118 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 89.1 mtp -67.62 -46.32 72.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.036 -1.04 . . . . 0.0 110.127 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.602 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 56.9 t-20 -66.54 -44.01 83.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.34 -0.85 . . . . 0.0 111.034 -179.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.1 m -68.91 -48.99 61.96 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.169 -0.957 . . . . 0.0 111.96 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.5 mt -72.38 -34.15 67.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.85 -1.157 . . . . 0.0 111.508 -178.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.7 mt -79.28 -42.3 23.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 120.95 -1.094 . . . . 0.0 111.339 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.602 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 72.9 m80 -74.58 -48.16 28.3 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.014 -1.054 . . . . 0.0 111.306 -178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -85.07 110.64 19.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.799 -1.188 . . . . 0.0 109.997 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -61.76 -36.52 81.28 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.474 -0.766 . . . . 0.0 110.148 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.84 -43.35 94.66 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.096 -1.002 . . . . 0.0 109.8 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -64.01 -33.22 75.25 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.125 -0.984 . . . . 0.0 108.532 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.76 75.48 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.202 -0.936 . . . . 0.0 109.569 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.594 ' NZ ' ' CG ' ' A' ' 135' ' ' TRP . 16.8 tttp -62.23 -48.69 78.84 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.155 -0.966 . . . . 0.0 111.071 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.094 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -64.95 -38.45 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 120.618 -1.301 . . . . 0.0 108.76 -178.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 1.094 ' N ' HD13 ' A' ' 91' ' ' ILE . 61.6 t80 -63.09 -43.8 97.49 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.668 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 73.9 mtm -70.38 -41.54 72.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.612 -0.68 . . . . 0.0 110.001 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.06 -40.61 94.32 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.092 -1.005 . . . . 0.0 109.213 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -63.02 -45.69 91.12 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.373 -0.829 . . . . 0.0 109.482 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.454 ' HE2' HD22 ' A' ' 100' ' ' LEU . 65.8 t80 -65.0 -43.05 93.81 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.39 -0.819 . . . . 0.0 109.598 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 93' ' ' MET . 64.8 p -59.76 -43.44 94.32 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.332 -0.855 . . . . 0.0 109.735 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.9 ttp -63.6 -44.84 92.82 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.251 -0.906 . . . . 0.0 109.036 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.7 t -68.82 -42.18 77.57 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.435 -0.79 . . . . 0.0 109.896 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.454 HD22 ' HE2' ' A' ' 96' ' ' PHE . 29.6 tp -65.13 -41.56 94.7 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.304 -0.872 . . . . 0.0 110.143 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.761 ' CE2' HD11 ' A' ' 105' ' ' LEU . 87.2 t80 -63.72 -45.69 88.81 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.2 -0.937 . . . . 0.0 110.146 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -59.61 -41.46 90.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.15 -0.969 . . . . 0.0 109.639 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.23 -40.86 95.62 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.311 -0.868 . . . . 0.0 109.738 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -62.36 -40.98 98.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.252 -0.905 . . . . 0.0 109.932 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.761 HD11 ' CE2' ' A' ' 101' ' ' TYR . 82.3 mt -59.36 -44.73 92.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.135 -0.978 . . . . 0.0 109.356 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -60.75 -38.88 86.68 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.193 -0.942 . . . . 0.0 109.695 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.7 mt-30 -62.17 -39.61 93.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.255 -0.903 . . . . 0.0 109.992 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 63.1 mt -66.11 -37.85 86.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.978 -1.076 . . . . 0.0 109.506 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -78.02 -53.0 7.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.316 -0.865 . . . . 0.0 110.446 -179.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -89.6 -22.71 22.21 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.281 -0.887 . . . . 0.0 110.65 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -102.89 154.58 18.26 Favored Glycine 0 N--CA 1.493 2.49 0 C-N-CA 119.698 -1.239 . . . . 0.0 110.289 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.84 154.34 63.52 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 122.938 2.425 . . . . 0.0 111.983 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.586 ' CE2' ' OH ' ' A' ' 157' ' ' TYR . 25.9 m-90 -86.95 122.35 30.68 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.208 -0.932 . . . . 0.0 109.482 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 86.9 m-20 -134.64 166.09 23.72 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.357 -0.839 . . . . 0.0 109.366 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 116' ' ' MET . 12.6 m -64.1 -32.6 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.282 -0.887 . . . . 0.0 109.333 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.407 ' N ' HG23 ' A' ' 115' ' ' VAL . 0.8 OUTLIER -59.64 -40.8 88.84 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.415 -0.803 . . . . 0.0 109.647 -179.293 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.91 -37.71 88.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.393 -0.817 . . . . 0.0 109.514 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -59.48 -44.09 93.12 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.182 -0.949 . . . . 0.0 109.387 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.403 HH12 ' HB ' ' A' ' 115' ' ' VAL . 68.4 mtt85 -63.77 -40.56 96.99 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.27 -0.894 . . . . 0.0 109.511 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.0 p -64.8 -34.43 78.33 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.235 -0.916 . . . . 0.0 109.262 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.548 HD23 HD13 ' A' ' 158' ' ' LEU . 27.2 tp -64.82 -42.49 94.94 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.38 -0.825 . . . . 0.0 109.245 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -60.95 -40.28 92.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.282 -0.886 . . . . 0.0 109.338 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.646 ' SG ' ' NH2' ' A' ' 7' ' ' ARG . 73.2 m -62.07 -43.19 99.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.188 -0.945 . . . . 0.0 109.55 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.408 ' SG ' HD23 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -62.0 -46.96 86.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.197 -0.939 . . . . 0.0 109.845 -179.787 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.8 mt -60.34 -38.82 78.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.147 -0.971 . . . . 0.0 109.178 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.524 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.3 m-20 -61.57 -40.56 95.16 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.307 -0.871 . . . . 0.0 109.859 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.24 -45.06 95.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.127 -0.983 . . . . 0.0 109.874 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.546 ' CD1' HD11 ' A' ' 151' ' ' ILE . 30.2 t80 -72.05 -43.13 65.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.126 -0.984 . . . . 0.0 109.56 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.5 m -63.11 -38.64 91.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.298 -0.876 . . . . 0.0 109.92 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.662 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 82.8 m -65.98 -49.46 67.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.145 -0.972 . . . . 0.0 109.765 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.78 -47.73 89.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.19 -0.944 . . . . 0.0 109.699 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 136' ' ' LYS . 39.5 tp -61.74 -38.98 89.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.354 -0.842 . . . . 0.0 109.798 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -60.36 -49.65 76.74 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.256 -0.902 . . . . 0.0 110.258 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.13 -42.95 88.44 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.174 -0.954 . . . . 0.0 109.703 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.594 ' CG ' ' NZ ' ' A' ' 90' ' ' LYS . 97.1 m95 -86.93 2.46 49.24 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.27 -0.894 . . . . 0.0 109.919 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 132' ' ' LEU . 19.7 tptm -51.53 -38.44 54.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.227 -0.921 . . . . 0.0 110.099 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.84 -21.9 66.01 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.238 -0.913 . . . . 0.0 109.778 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.438 HD22 ' HA ' ' A' ' 135' ' ' TRP . 47.6 m-80 -92.16 -6.24 51.1 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.157 -0.964 . . . . 0.0 110.661 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.8 mm -104.63 146.86 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.158 -0.964 . . . . 0.0 109.48 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.8 m -77.01 155.06 32.85 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.325 -0.859 . . . . 0.0 109.207 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -57.36 -39.13 75.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.162 -0.961 . . . . 0.0 109.858 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 41.1 m -75.18 -45.08 42.91 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.78 -1.2 . . . . 0.0 109.996 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 47.2 m -61.65 -46.41 89.89 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.178 -0.951 . . . . 0.0 110.077 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.479 HG23 ' N ' ' A' ' 145' ' ' ASN . 14.1 t -64.79 -39.87 94.31 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.982 -1.073 . . . . 0.0 108.321 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . 0.62 ' C ' HD22 ' A' ' 145' ' ' ASN . 0.1 OUTLIER -54.41 -41.15 68.97 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.363 -0.836 . . . . 0.0 108.765 179.243 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.9 m -62.68 -45.31 93.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.363 -0.836 . . . . 0.0 109.175 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 60.1 mt -65.77 -44.65 85.17 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 108.804 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -61.72 -34.6 76.09 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -61.31 -41.93 97.81 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.503 -0.748 . . . . 0.0 108.983 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.432 ' NH2' ' CE2' ' A' ' 128' ' ' PHE . 60.0 ttp180 -60.06 -42.08 93.75 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.201 -0.937 . . . . 0.0 108.532 179.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.546 HD11 ' CD1' ' A' ' 128' ' ' PHE . 87.8 mt -61.02 -38.62 79.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -57.71 -41.36 81.57 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.536 ' HA ' HD12 ' A' ' 156' ' ' ILE . 76.3 t80 -57.98 -42.78 85.81 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . 0.543 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 5.2 m -62.86 -50.62 70.21 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -62.44 -34.41 76.73 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.405 -0.809 . . . . 0.0 109.411 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 153' ' ' TYR . 18.9 mt -58.26 -49.24 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 O-C-N 121.222 -0.924 . . . . 0.0 110.227 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.737 ' OH ' HG23 ' A' ' 166' ' ' ILE . 61.8 t80 -64.43 -41.18 96.74 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.548 HD13 HD23 ' A' ' 121' ' ' LEU . 34.7 tp -59.55 -41.47 90.2 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 121.409 0.623 . . . . 0.0 109.345 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.2 m -60.88 -39.68 90.14 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.147 -0.971 . . . . 0.0 108.834 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -61.54 -38.09 86.16 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.304 -0.873 . . . . 0.0 108.907 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 73.9 mt -62.15 -37.84 86.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.228 -0.92 . . . . 0.0 108.707 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.53 -36.93 85.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.39 -0.819 . . . . 0.0 109.106 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -81.81 -10.66 59.27 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.346 -0.846 . . . . 0.0 109.371 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.51 1.03 72.01 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.67 147.6 23.13 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.165 -1.197 . . . . 0.0 109.706 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.737 HG23 ' OH ' ' A' ' 157' ' ' TYR . 37.4 mm . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.526 -0.734 . . . . 0.0 109.503 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.21 -40.51 90.4 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.374 -0.829 . . . . 0.0 108.851 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -61.84 -40.13 94.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 0.0 109.202 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 195' ' ' LEU . . . . . 0.661 HD11 HD22 ' A' ' 53' ' ' LEU . 37.0 tp -59.49 -40.64 87.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.252 -0.905 . . . . 0.0 109.067 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.08 -37.65 85.87 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.259 -0.901 . . . . 0.0 108.873 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.19 -35.28 80.58 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.363 -0.836 . . . . 0.0 109.205 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . 0.52 ' CZ ' HD21 ' A' ' 53' ' ' LEU . 81.6 mtp180 -62.39 -42.5 99.47 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.228 -0.92 . . . . 0.0 109.238 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 199' ' ' LEU . . . . . 0.794 HD22 HG21 ' A' ' 32' ' ' VAL . 7.6 tp -63.06 -44.95 94.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.191 -0.943 . . . . 0.0 108.99 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -60.58 -37.61 81.9 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.346 -0.846 . . . . 0.0 108.993 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.91 81.87 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.209 -0.932 . . . . 0.0 108.583 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 202' ' ' LEU . . . . . 0.555 HD22 HG21 ' A' ' 56' ' ' ILE . 5.8 tp -59.7 -39.53 84.88 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -97.31 1.25 49.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.399 -0.813 . . . . 0.0 109.542 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 117.961 -1.466 . . . . 0.0 109.596 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.351 0.596 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.25 -41.07 87.89 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.153 -0.967 . . . . 0.0 109.233 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -63.61 -37.74 88.48 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.191 -0.943 . . . . 0.0 108.981 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -56.45 -42.6 78.41 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.884 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.7 -39.5 94.47 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.61 93.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.341 -0.849 . . . . 0.0 109.534 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.429 HH12 ' HB3' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -60.3 -40.6 91.09 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.059 -1.026 . . . . 0.0 108.571 179.458 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.407 ' CG1' HD13 ' A' ' 27' ' ' LEU . 53.9 t -63.11 -37.18 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.48 -0.763 . . . . 0.0 109.433 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.61 -40.1 83.55 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.152 -0.968 . . . . 0.0 108.487 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.82 82.19 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.248 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.18 -34.36 78.2 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.673 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -60.79 -41.85 96.43 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.304 -0.872 . . . . 0.0 108.68 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -61.14 -38.75 87.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.339 -0.85 . . . . 0.0 108.775 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -58.55 -42.82 88.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.2 -0.938 . . . . 0.0 109.315 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -62.2 -40.84 97.4 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.317 -0.865 . . . . 0.0 109.422 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.489 ' OD1' ' OE2' ' A' ' 62' ' ' GLU . 53.0 t0 -58.68 -37.94 77.13 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.214 -0.929 . . . . 0.0 108.934 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -61.38 -32.47 72.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.44 -0.788 . . . . 0.0 109.078 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.6 t -83.83 -12.87 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.417 -0.802 . . . . 0.0 109.561 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.3 18.48 52.92 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.5 mt -95.83 54.66 1.53 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.344 -1.092 . . . . 0.0 109.2 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.19 -28.79 50.74 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 mm -58.36 -50.55 78.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 O-C-N 121.119 -1.224 . . . . 0.0 109.509 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.1 mm -63.85 -42.47 95.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.239 -0.913 . . . . 0.0 108.771 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.403 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.05 -40.38 95.49 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.793 ' CE2' HD11 ' A' ' 29' ' ' LEU . 71.0 t80 -62.75 -47.97 81.2 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.089 -1.242 . . . . 0.0 111.154 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.663 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 46.8 t80 -64.45 -47.03 80.59 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.965 -1.084 . . . . 0.0 111.497 -178.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.673 HD11 ' HB2' ' A' ' 12' ' ' ALA . 3.2 pp -67.32 -34.73 77.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.704 -1.248 . . . . 0.0 110.075 -178.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.545 HE22 HG22 ' A' ' 55' ' ' THR . 89.4 mt-30 -60.11 -39.63 86.87 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.566 -1.334 . . . . 0.0 108.079 178.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.793 HD11 ' CE2' ' A' ' 25' ' ' TYR . 92.2 mt -62.76 -37.2 85.68 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -67.21 -37.36 83.49 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.269 -0.894 . . . . 0.0 109.399 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.5 93.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.309 -0.869 . . . . 0.0 110.369 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.74 HG21 ' CD2' ' B' ' 199' ' ' LEU . 2.2 p -64.08 -42.82 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.88 -1.138 . . . . 0.0 108.832 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.65 -34.64 76.05 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.998 -1.064 . . . . 0.0 108.743 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.884 HD23 ' HB2' ' A' ' 5' ' ' ALA . 37.6 tp -63.22 -43.15 98.91 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.49 -0.756 . . . . 0.0 109.806 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.81 -48.1 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 O-C-N 121.087 -1.008 . . . . 0.0 109.709 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.486 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.4 mp -65.05 -36.44 84.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.292 -0.88 . . . . 0.0 109.417 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.4 p -72.77 -20.89 61.09 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.595 ' CD ' ' HE ' ' A' ' 41' ' ' ARG . 80.0 tt0 -78.34 151.33 32.96 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.58 151.0 11.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.288 -0.882 . . . . 0.0 109.507 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.11 130.39 46.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.444 -0.785 . . . . 0.0 110.088 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.595 ' HE ' ' CD ' ' A' ' 38' ' ' GLU . 96.4 mtt-85 -122.3 170.94 9.42 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.766 -0.584 . . . . 0.0 109.681 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.8 p -57.52 169.04 0.71 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.338 -0.851 . . . . 0.0 110.555 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -56.65 -24.73 50.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.858 -0.526 . . . . 0.0 111.317 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.57 -44.73 47.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.718 -1.239 . . . . 0.0 109.678 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -36.08 79.02 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.947 -1.095 . . . . 0.0 109.132 178.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.5 m -59.61 -41.91 91.45 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.311 -0.868 . . . . 0.0 109.252 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.27 95.12 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.163 -0.961 . . . . 0.0 108.812 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.98 -38.07 89.66 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.336 -0.853 . . . . 0.0 109.108 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.9 87.15 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.257 -0.902 . . . . 0.0 108.692 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 m -62.92 -38.17 89.92 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.371 -0.83 . . . . 0.0 109.188 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.98 -43.98 98.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.385 -0.822 . . . . 0.0 109.987 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 52' ' ' LEU . 7.0 mp -63.66 -39.64 94.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.991 -1.068 . . . . 0.0 109.353 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.3 tp -59.8 -40.37 88.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.17 -0.956 . . . . 0.0 108.773 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -61.66 -38.18 86.81 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.545 HG22 HE22 ' A' ' 28' ' ' GLN . 43.3 m -60.05 -41.97 93.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.661 -0.649 . . . . 0.0 109.746 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.45 HG21 HD21 ' B' ' 202' ' ' LEU . 83.0 mt -58.15 -49.77 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.117 -0.989 . . . . 0.0 109.18 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -62.23 -37.55 85.82 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.7 -34.73 77.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.481 -0.762 . . . . 0.0 109.044 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -58.97 -53.91 53.08 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.231 -0.918 . . . . 0.0 109.361 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.868 ' NZ ' HG21 ' A' ' 83' ' ' ILE . 26.9 mttm -59.81 -41.17 90.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.147 -0.971 . . . . 0.0 109.345 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -82.8 -2.4 54.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.403 -0.811 . . . . 0.0 110.067 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.489 ' OE2' ' OD1' ' A' ' 16' ' ' ASP . 86.6 tt0 -49.41 -35.25 18.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.122 -0.986 . . . . 0.0 109.919 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.481 HD12 ' SD ' ' A' ' 79' ' ' MET . 79.6 mt -68.55 -40.33 81.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.111 -0.993 . . . . 0.0 109.769 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.42 -5.22 60.91 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.14 -3.02 79.91 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -64.86 -47.11 79.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.055 -1.262 . . . . 0.0 108.531 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 t -70.74 -31.11 67.83 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.15 -29.5 65.63 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.663 -0.648 . . . . 0.0 109.802 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.24 -35.69 67.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.957 -1.089 . . . . 0.0 109.822 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -111.19 137.2 49.18 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.331 -0.856 . . . . 0.0 109.466 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 50.8 45.3 27.44 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.181 -0.95 . . . . 0.0 108.768 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.8 p -56.63 -35.16 68.02 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.482 -0.762 . . . . 0.0 110.324 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.59 ' O ' ' CD2' ' A' ' 77' ' ' HIS . 30.4 p-10 -64.89 -43.94 91.28 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.03 -1.044 . . . . 0.0 110.493 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.567 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 98.5 mttt -64.46 -38.37 90.79 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.21 -0.932 . . . . 0.0 109.962 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.3 m -63.08 -44.92 94.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 0.0 110.063 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.29 -39.29 82.13 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.279 -0.888 . . . . 0.0 110.015 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 72.0 m-70 -59.25 -45.17 91.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.152 -0.968 . . . . 0.0 110.353 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.4 t -67.85 -49.46 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.059 -1.026 . . . . 0.0 110.302 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.481 ' SD ' HD12 ' A' ' 63' ' ' ILE . 70.2 mtm -67.94 -46.27 71.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.121 -0.987 . . . . 0.0 110.785 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -69.29 -43.08 74.57 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.925 -1.11 . . . . 0.0 111.472 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.1 m -69.01 -49.32 58.78 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.12 -0.988 . . . . 0.0 111.941 -178.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.9 mt -73.21 -33.63 65.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.966 -1.084 . . . . 0.0 111.549 -177.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.868 HG21 ' NZ ' ' A' ' 60' ' ' LYS . 76.3 mt -79.4 -40.31 21.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 120.884 -1.135 . . . . 0.0 111.698 -178.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -83.76 -36.67 23.44 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.88 -1.138 . . . . 0.0 111.951 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -86.17 114.61 23.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.64 -1.287 . . . . 0.0 110.157 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.496 ' CG ' ' N ' ' A' ' 87' ' ' GLU . 10.5 pt20 -62.23 -41.12 98.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.586 -0.697 . . . . 0.0 110.566 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.496 ' N ' ' CG ' ' A' ' 86' ' ' GLN . 97.0 mt-10 -63.3 -40.09 96.38 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.241 -0.912 . . . . 0.0 110.416 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -60.6 -32.4 71.53 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.935 -1.103 . . . . 0.0 108.663 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.44 -41.66 72.57 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.262 -0.898 . . . . 0.0 109.212 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.439 ' HG3' HG21 ' A' ' 131' ' ' ILE . 28.1 tttt -65.19 -48.59 72.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.213 -0.929 . . . . 0.0 110.752 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.76 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -63.53 -41.8 93.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 120.824 -1.173 . . . . 0.0 108.938 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.76 ' N ' HD12 ' A' ' 91' ' ' ILE . 55.4 t80 -64.17 -48.85 74.35 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.663 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 83.4 mtp -68.09 -40.36 82.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.377 -0.827 . . . . 0.0 109.757 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.5 tp -60.39 -39.15 86.28 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -61.15 -44.75 96.83 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.407 -0.808 . . . . 0.0 108.884 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -65.19 -43.37 91.84 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.474 -0.766 . . . . 0.0 109.482 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 93' ' ' MET . 63.7 p -59.81 -42.54 93.69 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.235 -0.916 . . . . 0.0 109.533 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.2 ttp -60.38 -45.55 93.13 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.327 -0.858 . . . . 0.0 108.852 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 m -67.02 -41.55 86.43 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.388 -0.82 . . . . 0.0 109.174 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.5 tp -64.41 -39.01 93.03 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.4 -0.813 . . . . 0.0 109.542 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.431 ' CE2' HD11 ' A' ' 105' ' ' LEU . 87.7 t80 -61.6 -48.26 81.74 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.304 -0.873 . . . . 0.0 110.05 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -63.87 -47.18 81.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.074 -1.016 . . . . 0.0 109.483 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.15 -34.84 79.35 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.427 -0.796 . . . . 0.0 109.577 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -60.81 -46.0 92.24 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.192 -0.942 . . . . 0.0 109.529 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.431 HD11 ' CE2' ' A' ' 101' ' ' TYR . 85.2 mt -60.88 -46.51 90.31 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.253 -0.904 . . . . 0.0 109.17 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -60.78 -37.35 81.59 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 121.098 -1.001 . . . . 0.0 109.076 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' A' ' 111' ' ' GLY . 63.2 tt0 -60.59 -39.57 88.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.331 -0.856 . . . . 0.0 109.363 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.919 HD13 ' CE2' ' A' ' 157' ' ' TYR . 95.3 mt -63.05 -43.0 99.84 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.165 -0.96 . . . . 0.0 109.494 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -78.61 -52.36 8.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.272 -0.892 . . . . 0.0 110.094 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -77.44 -23.51 50.5 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.418 -0.801 . . . . 0.0 110.314 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -105.86 154.12 17.03 Favored Glycine 0 N--CA 1.494 2.557 0 C-N-CA 119.729 -1.224 . . . . 0.0 110.268 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -71.54 154.22 60.18 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.901 2.401 . . . . 0.0 112.053 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.416 ' HE1' ' HB3' ' A' ' 108' ' ' LEU . 15.3 m-90 -94.17 120.44 34.42 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.154 -0.966 . . . . 0.0 109.627 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.3 m-20 -134.91 163.42 29.87 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.345 -0.847 . . . . 0.0 108.882 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -59.83 -36.74 68.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 O-C-N 120.972 -1.08 . . . . 0.0 108.661 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.457 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 1.8 mpp? -60.59 -40.57 92.26 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.532 -0.73 . . . . 0.0 109.34 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.7 HD21 HD21 ' A' ' 108' ' ' LEU . 8.6 tt -62.56 -39.69 94.46 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.406 -0.809 . . . . 0.0 109.382 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -60.15 -41.26 92.41 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.249 -0.907 . . . . 0.0 109.057 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.429 ' HB3' HH12 ' A' ' 7' ' ' ARG . 97.4 mtt180 -61.78 -40.22 94.42 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.417 -0.802 . . . . 0.0 109.177 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.5 p -64.63 -35.1 79.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.346 -0.846 . . . . 0.0 109.493 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.661 HD22 HD22 ' A' ' 158' ' ' LEU . 7.7 tt -64.44 -41.0 96.8 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.161 -0.962 . . . . 0.0 109.005 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -61.97 -39.38 91.94 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.294 -0.879 . . . . 0.0 109.16 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.65 -42.62 99.16 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.284 -0.885 . . . . 0.0 109.531 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 24.6 m -60.0 -44.9 94.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.185 -0.947 . . . . 0.0 109.384 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.51 -37.88 76.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.562 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.1 m-20 -61.82 -40.2 94.45 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.387 -0.821 . . . . 0.0 109.538 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.568 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 83.9 mt -58.88 -51.47 69.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.153 -0.967 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -72.67 -43.4 63.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.325 -0.86 . . . . 0.0 109.576 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.0 m -64.33 -38.79 92.28 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.37 -0.831 . . . . 0.0 110.489 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 127' ' ' LEU . 29.5 p -68.22 -50.37 54.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.984 -1.072 . . . . 0.0 109.904 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.531 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 83.5 mt -62.4 -46.15 97.09 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 O-C-N 121.022 -1.049 . . . . 0.0 109.204 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.701 HD21 HE22 ' A' ' 148' ' ' GLN . 20.5 tp -61.08 -36.82 80.66 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.559 -0.713 . . . . 0.0 109.137 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -59.2 -46.56 88.1 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.368 -0.832 . . . . 0.0 110.257 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.78 -47.12 82.2 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.008 -1.058 . . . . 0.0 110.018 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.438 ' HA ' HD22 ' A' ' 138' ' ' ASN . 23.5 m95 -88.56 4.2 47.7 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.374 -0.829 . . . . 0.0 110.722 -179.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 132' ' ' LEU . 2.4 tttm -53.42 -40.77 65.39 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.037 -1.04 . . . . 0.0 109.348 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.51 -17.46 64.17 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.33 -0.856 . . . . 0.0 109.179 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.438 HD22 ' HA ' ' A' ' 135' ' ' TRP . 12.0 m-80 -88.95 -8.17 54.65 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.425 -0.797 . . . . 0.0 110.21 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.7 mt -108.61 147.04 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.242 -0.911 . . . . 0.0 109.595 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 56.3 p -77.15 154.92 32.7 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.33 -0.856 . . . . 0.0 109.333 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.85 -42.41 84.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.304 -0.873 . . . . 0.0 110.076 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.6 m -64.38 -46.44 83.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.893 -1.129 . . . . 0.0 109.47 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 24.9 m -64.87 -45.79 84.57 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.158 -0.964 . . . . 0.0 108.635 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.61 -39.94 95.65 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . 0.497 HD22 ' NZ ' ' A' ' 149' ' ' LYS . 8.9 t30 -49.9 -44.99 50.4 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.274 -0.891 . . . . 0.0 108.674 179.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.2 m -61.49 -42.05 98.2 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.679 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.5 -39.07 88.49 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.302 -0.873 . . . . 0.0 109.584 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.701 HE22 HD21 ' A' ' 132' ' ' LEU . 37.9 mm-40 -60.27 -37.55 80.79 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 118.812 -1.155 . . . . 0.0 108.096 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.497 ' NZ ' HD22 ' A' ' 145' ' ' ASN . 21.0 mttt -61.86 -41.41 97.81 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.436 -0.79 . . . . 0.0 109.471 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -58.42 -42.44 87.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.086 -1.009 . . . . 0.0 108.675 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 31.3 mm -64.59 -41.36 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 12.8 tttm -57.61 -39.87 77.85 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.51 ' HA ' HD12 ' A' ' 156' ' ' ILE . 68.0 t80 -59.18 -44.17 92.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.345 -0.847 . . . . 0.0 108.778 179.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 3.8 m -61.9 -50.7 71.14 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.303 -0.873 . . . . 0.0 108.725 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -63.06 -33.36 75.27 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.466 -0.771 . . . . 0.0 109.573 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 153' ' ' TYR . 11.7 mt -58.12 -49.17 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.146 -0.972 . . . . 0.0 110.163 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.919 ' CE2' HD13 ' A' ' 108' ' ' LEU . 71.1 t80 -64.05 -43.84 94.28 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 119.058 -1.057 . . . . 0.0 108.353 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.661 HD22 HD22 ' A' ' 121' ' ' LEU . 35.9 tp -59.57 -39.79 85.23 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.2 m -60.45 -42.82 96.94 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.172 -0.955 . . . . 0.0 109.433 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -62.4 -37.36 85.49 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.113 -0.992 . . . . 0.0 109.208 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 64.9 mt -59.42 -39.07 82.3 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.998 -1.064 . . . . 0.0 108.4 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.48 80.98 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -81.33 -12.81 58.92 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.306 -0.871 . . . . 0.0 109.165 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.7 0.11 69.67 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -94.89 145.96 24.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.156 -1.202 . . . . 0.0 109.797 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 38.0 mm . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.409 -0.807 . . . . 0.0 109.441 179.668 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.487 1.38 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.62 -40.49 95.05 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.286 -0.884 . . . . 0.0 109.136 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -61.24 -42.21 98.22 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.373 -0.829 . . . . 0.0 109.375 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.16 -41.75 89.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.178 -0.951 . . . . 0.0 109.097 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.96 -40.39 94.93 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.28 -0.887 . . . . 0.0 109.484 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.07 -35.78 82.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.196 -0.94 . . . . 0.0 109.431 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -62.11 -44.2 97.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.26 -0.9 . . . . 0.0 109.237 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 199' ' ' LEU . . . . . 0.74 ' CD2' HG21 ' A' ' 32' ' ' VAL . 61.3 tp -63.92 -42.69 97.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.234 -0.916 . . . . 0.0 109.772 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 200' ' ' ARG . . . . . 0.464 ' O ' ' OXT' ' B' ' 204' ' ' GLY . 57.8 mtp180 -59.03 -36.37 74.88 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.099 -1.001 . . . . 0.0 108.782 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.53 -36.37 83.61 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 202' ' ' LEU . . . . . 0.45 HD21 HG21 ' A' ' 56' ' ' ILE . 15.3 tp -59.24 -39.29 82.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.409 -0.807 . . . . 0.0 108.827 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 203' ' ' ARG . . . . . 0.461 ' HD3' HD22 ' A' ' 29' ' ' LEU . 80.0 mtm180 -92.96 -2.63 55.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.342 -0.849 . . . . 0.0 109.388 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 204' ' ' GLY . . . . . 0.464 ' OXT' ' O ' ' B' ' 200' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.236 0 CA-C-O 118.004 -1.442 . . . . 0.0 109.534 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.933 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -59.93 -39.34 85.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 0.0 109.322 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -63.88 -38.79 92.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.221 -0.925 . . . . 0.0 109.312 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -59.16 -39.89 83.9 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.892 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -65.11 -39.39 93.05 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.29 -47.22 84.35 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.419 -0.8 . . . . 0.0 109.677 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -60.91 -40.6 93.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.1 -1.0 . . . . 0.0 109.281 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.521 ' CG1' HD13 ' A' ' 27' ' ' LEU . 53.5 t -62.42 -39.55 84.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.33 -0.856 . . . . 0.0 109.47 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.98 -41.8 90.49 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.216 -0.928 . . . . 0.0 108.653 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -45.54 78.47 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.306 -0.871 . . . . 0.0 109.102 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.07 -33.33 75.26 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.76 97.16 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.24 -0.912 . . . . 0.0 108.946 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -61.51 -40.79 95.88 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.236 -0.915 . . . . 0.0 108.558 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -59.14 -39.17 81.55 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.441 -0.787 . . . . 0.0 109.054 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -62.64 -42.54 99.66 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.523 -0.736 . . . . 0.0 109.539 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -58.78 -39.41 80.95 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.927 . . . . 0.0 109.0 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -61.42 -32.92 72.88 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.404 -0.81 . . . . 0.0 109.357 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.2 t -84.12 -14.41 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -0.883 . . . . 0.0 109.722 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.12 23.61 34.35 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.2 mt -95.29 54.11 1.59 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.282 -1.128 . . . . 0.0 109.02 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.1 -27.55 67.48 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.407 ' N ' HD13 ' A' ' 22' ' ' ILE . 9.0 mm -58.2 -55.13 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 120.91 -1.347 . . . . 0.0 109.765 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mp -68.07 -33.81 63.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.007 -1.058 . . . . 0.0 108.565 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.2 -46.18 94.21 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.738 ' CE2' HD11 ' A' ' 29' ' ' LEU . 66.9 t80 -60.98 -48.25 82.69 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.101 -1.235 . . . . 0.0 109.835 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.521 ' CB ' ' SD ' ' A' ' 93' ' ' MET . 87.5 t80 -67.61 -45.62 74.9 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.226 -0.921 . . . . 0.0 110.943 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.73 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -67.39 -36.57 81.59 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.902 -1.124 . . . . 0.0 110.133 -179.019 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.67 ' NE2' HG22 ' A' ' 55' ' ' THR . 84.8 mt-30 -62.8 -40.26 96.8 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.823 -1.173 . . . . 0.0 108.931 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.738 HD11 ' CE2' ' A' ' 25' ' ' TYR . 85.4 mt -61.04 -38.2 85.3 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.663 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 78.7 t80 -65.83 -36.02 82.3 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.158 -0.964 . . . . 0.0 109.166 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.51 -45.93 92.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.305 -0.872 . . . . 0.0 110.234 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.404 ' H ' HG12 ' A' ' 32' ' ' VAL . 2.0 p -65.6 -41.95 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.769 -1.207 . . . . 0.0 108.93 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.515 ' OE2' ' NH1' ' B' ' 203' ' ' ARG . 97.5 mt-10 -61.65 -35.61 78.43 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.87 -1.144 . . . . 0.0 108.917 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.892 HD23 ' HB2' ' A' ' 5' ' ' ALA . 39.7 tp -63.41 -42.06 98.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.377 -0.827 . . . . 0.0 109.607 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.9 mt -63.89 -48.2 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 O-C-N 121.167 -0.958 . . . . 0.0 109.804 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.3 mp -64.17 -35.57 81.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.321 -0.862 . . . . 0.0 109.3 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.0 m -80.79 -0.35 38.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.305 -0.872 . . . . 0.0 108.72 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.933 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 84.5 tt0 -94.48 150.66 20.04 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.627 -0.671 . . . . 0.0 109.378 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.36 150.09 15.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.162 -0.961 . . . . 0.0 109.036 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -58.38 129.04 40.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.25 -0.906 . . . . 0.0 110.018 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -122.93 171.55 9.14 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.3 p -57.15 171.62 0.36 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.32 -0.862 . . . . 0.0 110.378 -178.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -55.5 -24.0 29.24 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.767 -0.583 . . . . 0.0 111.079 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.22 -41.62 37.84 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.684 -1.26 . . . . 0.0 109.509 -178.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -35.62 79.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.88 -1.138 . . . . 0.0 109.262 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.0 m -59.31 -42.84 92.31 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.273 -0.892 . . . . 0.0 109.39 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.71 93.68 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.224 -0.922 . . . . 0.0 109.038 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.28 -39.51 90.69 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.412 -0.805 . . . . 0.0 109.356 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.95 98.11 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.318 -0.864 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 m -60.61 -40.19 90.95 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.236 -0.915 . . . . 0.0 109.134 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.56 -39.22 92.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.335 -0.853 . . . . 0.0 109.649 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.09 -41.91 98.67 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.18 -0.95 . . . . 0.0 109.699 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.503 HD21 ' NH1' ' B' ' 198' ' ' ARG . 41.5 tp -62.45 -41.73 98.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.12 -0.987 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -62.77 -40.68 98.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.458 -0.776 . . . . 0.0 109.419 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.67 HG22 ' NE2' ' A' ' 28' ' ' GLN . 25.6 m -60.45 -42.41 96.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.529 -0.732 . . . . 0.0 109.934 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.706 HG21 HD21 ' B' ' 202' ' ' LEU . 86.8 mt -59.34 -47.3 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.113 -0.992 . . . . 0.0 109.04 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.572 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.9 mt-10 -61.89 -36.17 80.5 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -63.92 -36.1 82.84 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -60.58 -54.5 44.61 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.134 -0.979 . . . . 0.0 109.005 179.602 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -60.48 -39.16 86.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.114 -0.991 . . . . 0.0 108.82 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -82.37 -2.22 52.29 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.446 -0.783 . . . . 0.0 109.831 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 58' ' ' ALA . 84.5 tt0 -49.16 -31.62 8.65 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.164 -0.96 . . . . 0.0 110.014 -179.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.485 HG23 ' HB3' ' A' ' 67' ' ' SER . 29.7 mm -67.13 -40.24 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.015 -1.053 . . . . 0.0 109.165 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.62 -5.81 10.34 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 89.79 -7.99 80.69 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -67.22 -47.2 71.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.047 -1.266 . . . . 0.0 108.856 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.485 ' HB3' HG23 ' A' ' 63' ' ' ILE . 10.9 t -73.48 -30.84 63.42 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -58.68 -30.84 67.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.566 -0.709 . . . . 0.0 109.98 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.27 -36.8 66.5 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.036 -1.04 . . . . 0.0 109.788 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -106.05 134.35 49.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.26 -0.9 . . . . 0.0 109.208 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 50.08 46.36 24.65 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.06 -1.025 . . . . 0.0 108.362 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.4 t -50.56 -39.52 49.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.532 -0.73 . . . . 0.0 110.226 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.587 ' OD1' ' N ' ' A' ' 74' ' ' LYS . 32.9 p-10 -63.18 -40.9 98.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.111 -0.993 . . . . 0.0 110.128 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.587 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 56.4 tttt -62.75 -39.35 93.87 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.224 -0.922 . . . . 0.0 109.775 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.6 p -64.48 -42.65 95.76 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.281 -0.887 . . . . 0.0 109.891 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.1 mt -68.41 -39.6 81.55 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.322 -0.861 . . . . 0.0 109.825 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 77.5 m-70 -60.91 -45.1 96.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.313 -0.867 . . . . 0.0 110.455 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.62 -49.99 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.053 -1.029 . . . . 0.0 110.133 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.453 ' O ' HD12 ' A' ' 83' ' ' ILE . 70.6 mtm -68.56 -46.55 69.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.186 -0.947 . . . . 0.0 110.819 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.437 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 80.5 m-20 -69.82 -42.95 72.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.081 -1.012 . . . . 0.0 111.482 -178.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 39.4 m -65.73 -49.63 67.73 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.109 -0.994 . . . . 0.0 111.884 -177.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.424 HD23 ' HG3' ' A' ' 88' ' ' LYS . 15.2 mt -72.49 -33.93 67.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.844 -1.16 . . . . 0.0 111.084 -178.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 79' ' ' MET . 86.1 mt -79.31 -34.49 16.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.065 -1.022 . . . . 0.0 111.456 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 73.3 m80 -92.87 -37.97 11.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.872 -1.143 . . . . 0.0 111.757 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -84.25 107.6 16.65 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.721 -1.237 . . . . 0.0 110.372 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.25 -36.93 83.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.455 -0.778 . . . . 0.0 110.223 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.19 -45.2 95.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.056 -1.027 . . . . 0.0 108.843 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.424 ' HG3' HD23 ' A' ' 82' ' ' LEU . 5.8 tptm -68.57 -34.35 75.67 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.27 -47.68 55.5 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.449 -0.782 . . . . 0.0 110.315 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -61.53 -48.34 81.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.081 -1.012 . . . . 0.0 110.576 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.666 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.4 pp -61.76 -41.21 89.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 120.995 -1.066 . . . . 0.0 108.926 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.666 ' N ' HD12 ' A' ' 91' ' ' ILE . 46.2 t80 -63.67 -48.53 76.8 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.521 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 75.8 mtm -65.73 -41.9 91.66 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.359 -0.838 . . . . 0.0 109.307 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.88 -39.75 93.02 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.273 -0.892 . . . . 0.0 109.187 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -59.83 -44.98 93.78 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.388 -0.82 . . . . 0.0 109.546 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.547 ' HE2' HD22 ' A' ' 100' ' ' LEU . 64.1 t80 -63.69 -44.42 93.73 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.269 -0.895 . . . . 0.0 109.709 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.41 ' HB ' ' CE1' ' A' ' 128' ' ' PHE . 18.1 p -61.96 -42.83 99.56 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.262 -0.899 . . . . 0.0 109.964 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 91.1 mtp -64.78 -43.43 93.24 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.076 -1.015 . . . . 0.0 109.273 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.5 m -70.11 -42.12 73.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.421 -0.8 . . . . 0.0 109.436 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.547 HD22 ' HE2' ' A' ' 96' ' ' PHE . 30.9 tp -63.64 -42.92 98.1 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.356 -0.84 . . . . 0.0 109.704 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.672 ' CE2' HD11 ' A' ' 105' ' ' LEU . 82.8 t80 -61.01 -42.83 99.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.323 -0.861 . . . . 0.0 109.758 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -58.83 -41.39 86.77 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.278 -0.889 . . . . 0.0 109.522 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.31 -39.3 92.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.284 -0.885 . . . . 0.0 109.669 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.552 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 39.6 mmtt -62.6 -40.44 96.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.235 -0.916 . . . . 0.0 109.489 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.672 HD11 ' CE2' ' A' ' 101' ' ' TYR . 82.2 mt -60.17 -44.62 94.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.259 -0.901 . . . . 0.0 109.507 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -60.71 -39.46 88.63 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.197 -0.939 . . . . 0.0 109.845 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 111' ' ' GLY . 94.7 mt-30 -62.89 -40.89 98.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.204 -0.935 . . . . 0.0 110.027 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.84 -37.42 87.56 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.84 -1.163 . . . . 0.0 109.728 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -78.12 -53.31 7.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.252 -0.905 . . . . 0.0 110.742 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -98.5 -22.91 15.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.232 -0.917 . . . . 0.0 110.897 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -88.6 153.32 23.95 Favored Glycine 0 N--CA 1.492 2.432 0 C-N-CA 119.494 -1.336 . . . . 0.0 110.017 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.93 153.39 72.7 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 122.806 2.337 . . . . 0.0 111.902 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.736 ' CZ2' HG21 ' A' ' 166' ' ' ILE . 15.3 m-90 -92.46 115.06 27.76 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.122 -0.986 . . . . 0.0 109.76 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 43.8 t0 -135.57 167.31 21.34 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.341 -0.849 . . . . 0.0 109.211 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.46 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 3.9 m -62.27 -32.56 55.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.367 -0.833 . . . . 0.0 109.623 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 115' ' ' VAL . 69.2 mtm -60.13 -39.9 87.88 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.288 -0.882 . . . . 0.0 109.923 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.6 mm? -65.29 -38.79 91.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.217 -0.927 . . . . 0.0 109.403 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.479 ' HE3' HD13 ' A' ' 161' ' ' LEU . 34.2 mttp -60.93 -42.79 98.86 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.292 -0.88 . . . . 0.0 109.539 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -62.12 -42.36 99.16 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.331 -0.856 . . . . 0.0 109.879 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.552 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 8.2 t -64.52 -43.4 94.16 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.26 -0.9 . . . . 0.0 109.807 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 1.036 HD23 HD21 ' A' ' 158' ' ' LEU . 41.1 tp -62.3 -43.08 99.66 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.297 -0.877 . . . . 0.0 109.495 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.677 ' CE2' HD13 ' A' ' 158' ' ' LEU . 41.4 m95 -61.93 -39.74 93.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.144 -0.972 . . . . 0.0 108.962 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.6 m -64.38 -41.16 96.84 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.218 -0.926 . . . . 0.0 108.735 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 70.8 m -59.31 -44.26 92.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.346 -0.846 . . . . 0.0 109.269 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.0 -38.53 77.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.19 -0.944 . . . . 0.0 108.926 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.531 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.5 m-20 -60.23 -39.06 85.37 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.347 -0.846 . . . . 0.0 109.041 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.24 -42.98 99.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.398 -0.813 . . . . 0.0 109.259 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.41 ' CE1' ' HB ' ' A' ' 97' ' ' THR . 26.4 m-85 -66.55 -43.4 85.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.36 -0.837 . . . . 0.0 109.81 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.0 m -64.7 -38.01 89.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.335 -0.853 . . . . 0.0 110.246 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.663 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 60.0 m -67.32 -49.54 63.72 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.214 -0.929 . . . . 0.0 110.249 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.1 pp -77.29 -43.27 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.091 -1.005 . . . . 0.0 110.285 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.581 HD21 ' OE1' ' A' ' 148' ' ' GLN . 44.5 tp -62.22 -40.99 97.97 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.901 -1.124 . . . . 0.0 109.808 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -68.48 -49.49 59.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -0.891 . . . . 0.0 111.048 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.521 HD23 ' CZ3' ' A' ' 135' ' ' TRP . 56.9 tp -61.91 -47.1 86.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.909 -1.119 . . . . 0.0 110.652 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.521 ' CZ3' HD23 ' A' ' 134' ' ' LEU . 11.9 m-90 -88.01 4.66 44.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.042 -1.036 . . . . 0.0 110.462 -179.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -49.18 -37.41 22.47 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.221 -0.924 . . . . 0.0 109.514 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -62.78 -26.24 68.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.222 -0.924 . . . . 0.0 109.243 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.417 HD22 ' HA ' ' A' ' 135' ' ' TRP . 56.4 m-80 -89.3 -0.74 57.7 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.273 -0.892 . . . . 0.0 109.853 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.496 HG22 ' OG ' ' A' ' 143' ' ' SER . 16.1 mm -102.67 143.17 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.016 -1.053 . . . . 0.0 109.229 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . 0.415 ' N ' ' OG ' ' A' ' 143' ' ' SER . 28.9 t -77.97 154.03 31.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.874 . . . . 0.0 109.186 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.16 -41.99 72.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.198 -0.939 . . . . 0.0 109.762 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 39.5 m -72.87 -44.18 61.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.879 -1.138 . . . . 0.0 109.454 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . 0.496 ' OG ' HG22 ' A' ' 139' ' ' ILE . 87.8 p -63.46 -41.53 98.62 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.24 -0.913 . . . . 0.0 109.373 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.527 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.5 OUTLIER -62.03 -39.05 90.99 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.07 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . 0.677 ' ND2' ' NZ ' ' A' ' 149' ' ' LYS . 0.1 OUTLIER -58.1 -42.61 86.04 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.549 -0.719 . . . . 0.0 109.366 179.658 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.4 m -60.96 -47.4 86.6 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.251 -0.906 . . . . 0.0 110.129 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.478 HD12 ' H ' ' A' ' 147' ' ' LEU . 6.6 mp -63.69 -38.8 92.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.083 -1.011 . . . . 0.0 108.941 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.618 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -62.19 -36.95 83.49 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.332 -0.855 . . . . 0.0 109.282 179.641 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . 0.677 ' NZ ' ' ND2' ' A' ' 145' ' ' ASN . 29.3 mttp -62.74 -42.55 99.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.125 -0.984 . . . . 0.0 109.464 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -63.23 -42.05 99.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.182 -0.949 . . . . 0.0 109.381 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.14 -41.51 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.333 -0.854 . . . . 0.0 109.357 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -59.31 -40.68 86.99 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.331 -0.856 . . . . 0.0 108.799 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.42 ' HA ' HD12 ' A' ' 156' ' ' ILE . 73.1 t80 -58.51 -43.68 89.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.406 -0.809 . . . . 0.0 109.146 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 4.2 m -65.4 -50.33 65.89 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.293 -0.879 . . . . 0.0 108.857 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -60.23 -35.97 76.65 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 153' ' ' TYR . 13.8 mt -58.49 -41.9 82.99 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 O-C-N 121.435 -0.791 . . . . 0.0 109.535 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.509 ' CE2' HD11 ' A' ' 161' ' ' LEU . 74.1 t80 -62.6 -40.18 96.11 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.288 -0.883 . . . . 0.0 108.677 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 1.036 HD21 HD23 ' A' ' 121' ' ' LEU . 88.1 mt -58.83 -40.96 85.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.204 -0.935 . . . . 0.0 109.188 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.7 m -62.11 -40.64 96.55 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.2 -0.938 . . . . 0.0 109.205 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -61.82 -38.61 88.8 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.192 -0.942 . . . . 0.0 109.257 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.509 HD11 ' CE2' ' A' ' 157' ' ' TYR . 73.3 mt -62.64 -37.47 86.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.166 -0.959 . . . . 0.0 108.801 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.74 84.65 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.346 -0.846 . . . . 0.0 109.169 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -81.84 -9.78 59.51 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.325 -0.859 . . . . 0.0 109.398 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 89.53 3.3 74.97 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -94.73 141.33 28.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.227 -1.16 . . . . 0.0 109.673 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.736 HG21 ' CZ2' ' A' ' 113' ' ' TRP . 36.1 mm . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.413 -0.805 . . . . 0.0 109.372 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 N--CA 1.486 1.359 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -59.22 -41.44 88.65 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.204 -0.935 . . . . 0.0 108.857 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -62.07 -40.55 96.18 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.278 -0.889 . . . . 0.0 109.166 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 43.7 tp -57.96 -39.64 78.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.337 -0.852 . . . . 0.0 109.435 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.74 98.66 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.926 . . . . 0.0 109.268 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 197' ' ' GLN . . . . . 0.408 ' HG3' HH21 ' B' ' 200' ' ' ARG . 51.2 tt0 -65.14 -35.62 81.69 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.248 -0.908 . . . . 0.0 109.232 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . 0.572 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 63.9 ttt-85 -62.4 -42.26 99.29 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.246 -0.909 . . . . 0.0 109.363 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.51 -44.19 96.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.276 -0.89 . . . . 0.0 109.478 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 200' ' ' ARG . . . . . 0.408 HH21 ' HG3' ' B' ' 197' ' ' GLN . 33.5 mtm105 -60.12 -36.94 78.58 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.167 -0.958 . . . . 0.0 108.966 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.02 82.41 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 202' ' ' LEU . . . . . 0.706 HD21 HG21 ' A' ' 56' ' ' ILE . 17.5 tp -59.97 -38.49 82.67 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.393 -0.817 . . . . 0.0 108.855 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 203' ' ' ARG . . . . . 0.732 ' HD3' HD22 ' A' ' 29' ' ' LEU . 56.9 mtm180 -87.52 -9.95 53.06 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.341 -0.849 . . . . 0.0 109.356 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 CA-C-O 118.004 -1.442 . . . . 0.0 109.499 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.508 ' N ' ' NH2' ' A' ' 41' ' ' ARG . 87.8 mtp . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.539 ' N ' ' OE2' ' A' ' 38' ' ' GLU . . . -59.18 -40.79 86.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.23 -0.919 . . . . 0.0 109.08 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -63.43 -38.3 90.62 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.163 -0.96 . . . . 0.0 108.973 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -57.08 -39.84 75.74 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.812 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.04 -40.01 95.36 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.22 96.65 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.437 -0.789 . . . . 0.0 109.26 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.424 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.12 -41.64 93.05 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.248 -0.908 . . . . 0.0 108.641 179.621 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.3 t -60.84 -37.44 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.373 -0.83 . . . . 0.0 109.12 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.63 -37.99 77.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.2 98.07 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.3 p -69.98 -34.85 73.89 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.308 -0.87 . . . . 0.0 108.869 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.461 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -56.31 -45.8 80.13 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -64.61 -41.99 95.84 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.317 -0.864 . . . . 0.0 109.14 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -60.55 -42.61 96.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.317 -0.864 . . . . 0.0 109.907 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -61.66 -41.23 97.25 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.153 -0.967 . . . . 0.0 109.383 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.485 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 20.2 t70 -59.02 -38.11 78.5 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.15 -0.969 . . . . 0.0 108.908 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.9 -32.28 71.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.522 -0.736 . . . . 0.0 109.394 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 18' ' ' VAL . 48.0 t -84.12 -9.06 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.383 -0.823 . . . . 0.0 109.492 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.31 13.59 61.5 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.8 mt -95.88 47.93 1.11 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.421 -1.047 . . . . 0.0 109.114 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.68 -30.46 51.59 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.42 HD13 ' N ' ' A' ' 22' ' ' ILE . 8.3 mm -58.6 -51.06 76.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 O-C-N 121.185 -1.185 . . . . 0.0 109.593 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.1 mm -65.32 -42.27 93.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 121.128 -0.983 . . . . 0.0 108.875 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.553 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.91 -39.21 95.23 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.877 ' CE2' HD11 ' A' ' 29' ' ' LEU . 72.9 t80 -63.76 -47.41 81.1 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.961 -1.317 . . . . 0.0 110.573 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.67 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 72.1 t80 -60.34 -45.8 92.18 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.23 -0.919 . . . . 0.0 111.454 -178.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.553 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.9 pp -66.54 -33.93 76.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.608 -1.308 . . . . 0.0 110.044 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.486 ' N ' HD12 ' A' ' 27' ' ' LEU . 92.5 mt-30 -60.18 -40.31 89.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.65 -1.281 . . . . 0.0 108.208 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.877 HD11 ' CE2' ' A' ' 25' ' ' TYR . 87.5 mt -61.46 -38.81 88.57 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.663 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 86.4 t80 -66.23 -36.09 82.12 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.456 -0.778 . . . . 0.0 109.238 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.54 94.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.297 -0.877 . . . . 0.0 110.274 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.449 HG21 HD22 ' B' ' 199' ' ' LEU . 2.2 p -66.12 -42.8 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.812 -1.18 . . . . 0.0 109.168 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.67 -35.08 76.96 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.945 -1.097 . . . . 0.0 108.882 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.812 HD23 ' HB2' ' A' ' 5' ' ' ALA . 25.5 tp -64.03 -43.46 95.49 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.342 -0.848 . . . . 0.0 109.819 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.54 -48.2 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 O-C-N 121.153 -0.967 . . . . 0.0 110.05 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.52 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.2 mp -65.1 -36.5 84.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.32 -0.863 . . . . 0.0 109.266 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.6 p -77.33 -19.53 56.21 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.314 -0.866 . . . . 0.0 108.873 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.59 ' OE2' ' NE ' ' A' ' 41' ' ' ARG . 84.5 tt0 -67.7 149.39 50.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.702 -0.624 . . . . 0.0 109.934 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.61 150.02 20.21 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.398 -0.814 . . . . 0.0 109.373 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -58.78 131.16 50.11 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.283 -0.886 . . . . 0.0 110.007 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.59 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 75.1 mtt180 -123.05 170.42 10.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.68 -0.638 . . . . 0.0 109.484 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.0 p -57.77 171.3 0.5 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.231 -0.918 . . . . 0.0 109.678 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.12 -26.13 48.77 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.58 -0.7 . . . . 0.0 110.715 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -52.71 -40.88 63.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.775 -1.203 . . . . 0.0 109.402 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.0 ttp -64.31 -36.4 83.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.124 -0.985 . . . . 0.0 108.641 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.656 HG21 ' OE2' ' B' ' 192' ' ' GLU . 28.1 m -59.64 -40.43 87.62 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.462 -0.774 . . . . 0.0 108.961 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.55 98.84 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.171 -0.956 . . . . 0.0 108.727 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.0 -36.3 83.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.285 -0.884 . . . . 0.0 109.093 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.92 98.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.226 -0.921 . . . . 0.0 108.941 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.7 m -61.71 -41.89 98.21 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.364 -0.835 . . . . 0.0 109.148 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -61.41 -40.77 95.6 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.301 -0.874 . . . . 0.0 109.052 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 52' ' ' LEU . 32.2 tp -59.64 -40.72 88.61 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.335 -0.853 . . . . 0.0 109.109 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.799 HD21 HH11 ' B' ' 198' ' ' ARG . 26.5 tp -60.02 -40.32 88.89 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.335 -0.853 . . . . 0.0 108.705 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -59.89 -39.49 85.53 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.7 m -60.38 -41.58 94.05 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.633 -0.667 . . . . 0.0 109.62 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.643 HG21 HD22 ' B' ' 202' ' ' LEU . 84.1 mt -59.62 -55.09 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.187 -0.946 . . . . 0.0 109.247 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.575 ' OE2' ' NZ ' ' A' ' 61' ' ' LYS . 85.6 tt0 -62.61 -38.0 88.49 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.23 -31.4 69.95 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.428 -0.795 . . . . 0.0 108.91 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 55' ' ' THR . 84.8 t80 -59.23 -54.17 49.97 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.244 -0.91 . . . . 0.0 109.481 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.652 ' HE3' HD11 ' B' ' 202' ' ' LEU . 70.4 mttt -62.46 -43.27 99.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.126 -0.984 . . . . 0.0 109.654 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.575 ' NZ ' ' OE2' ' A' ' 57' ' ' GLU . 19.5 mttp -82.77 -2.98 55.94 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.259 -0.901 . . . . 0.0 110.103 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.5 tt0 -50.01 -33.94 19.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.195 -0.941 . . . . 0.0 109.997 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.2 mt -68.06 -41.09 84.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.131 -0.981 . . . . 0.0 109.744 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.86 -5.37 84.05 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.92 0.1 81.59 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -68.26 -46.9 69.15 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.115 -1.226 . . . . 0.0 109.41 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.8 t -64.6 -39.17 93.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.68 -0.638 . . . . 0.0 109.491 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 68' ' ' GLU . 47.0 mp0 -65.23 -28.55 69.44 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.452 -0.78 . . . . 0.0 109.934 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -39.22 -37.4 0.41 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.341 -0.849 . . . . 0.0 109.854 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -112.5 132.84 54.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.402 -0.811 . . . . 0.0 109.073 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 51.02 48.34 23.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.097 -1.002 . . . . 0.0 109.092 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.2 p -57.59 -36.48 71.79 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.213 -0.929 . . . . 0.0 110.023 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.47 -42.38 96.09 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.958 -1.089 . . . . 0.0 109.65 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -70.77 -48.34 54.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.283 -0.886 . . . . 0.0 110.536 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.9 m -61.61 -44.13 97.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.053 -1.029 . . . . 0.0 110.114 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 76' ' ' LEU . 95.4 mt -66.71 -36.38 82.36 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.32 -0.862 . . . . 0.0 109.807 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' A' ' 81' ' ' THR . 73.9 t60 -60.52 -45.49 93.65 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.342 -0.849 . . . . 0.0 110.007 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.55 -49.78 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.042 -1.036 . . . . 0.0 109.981 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 96.7 mmm -67.98 -46.32 71.68 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.283 -0.885 . . . . 0.0 110.212 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.597 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 55.1 t-20 -68.02 -43.87 77.8 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.141 -0.974 . . . . 0.0 111.097 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.63 HG22 ' HD2' ' A' ' 88' ' ' LYS . 37.5 m -68.13 -47.66 67.5 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.165 -0.96 . . . . 0.0 111.83 -178.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.7 mt -70.27 -34.09 72.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.804 -1.185 . . . . 0.0 111.047 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.9 mt -78.58 -34.25 17.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.051 -1.031 . . . . 0.0 110.951 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.597 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 78.8 m80 -91.72 -27.7 17.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.024 -1.048 . . . . 0.0 111.231 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -87.76 108.0 18.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.728 -1.233 . . . . 0.0 109.724 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.436 ' NE2' ' CD2' ' A' ' 134' ' ' LEU . 63.3 tt0 -62.19 -39.62 93.31 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.505 -0.747 . . . . 0.0 111.173 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.77 -44.43 96.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.962 -1.087 . . . . 0.0 110.181 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.63 ' HD2' HG22 ' A' ' 81' ' ' THR . 37.7 mttt -63.88 -30.99 72.02 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.158 -0.964 . . . . 0.0 108.991 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.58 67.66 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.249 -0.907 . . . . 0.0 110.134 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -63.51 -48.51 77.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.909 -1.119 . . . . 0.0 110.495 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.757 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -63.96 -40.15 88.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.987 -1.071 . . . . 0.0 108.502 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.757 ' N ' HD12 ' A' ' 91' ' ' ILE . 47.2 t80 -65.66 -48.36 72.38 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.67 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 71.1 mtm -68.74 -39.18 80.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.434 -0.791 . . . . 0.0 110.044 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.4 tp -60.43 -40.88 92.69 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.036 -1.04 . . . . 0.0 108.99 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -63.54 -44.17 95.0 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.32 -0.863 . . . . 0.0 109.171 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -64.09 -42.19 97.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.412 -0.805 . . . . 0.0 109.611 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 93' ' ' MET . 47.5 p -59.68 -43.89 93.84 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.165 -0.959 . . . . 0.0 109.801 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 96.2 mmm -63.76 -43.16 97.23 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.199 -0.938 . . . . 0.0 109.148 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.8 m -70.91 -38.21 72.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.533 -0.729 . . . . 0.0 109.795 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.586 HD21 ' SG ' ' A' ' 124' ' ' CYS . 28.7 tp -62.41 -42.6 99.56 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.257 -0.902 . . . . 0.0 110.152 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.822 ' CE2' HD11 ' A' ' 105' ' ' LEU . 88.3 t80 -67.9 -48.03 67.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.158 -0.964 . . . . 0.0 110.332 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -59.11 -45.08 91.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.105 -0.997 . . . . 0.0 109.478 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.18 -37.93 89.18 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.319 -0.863 . . . . 0.0 109.388 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -60.73 -45.02 95.85 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.272 -0.892 . . . . 0.0 109.66 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.822 HD11 ' CE2' ' A' ' 101' ' ' TYR . 77.3 mt -59.73 -41.8 91.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.197 -0.939 . . . . 0.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -61.58 -38.62 88.21 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.175 -0.953 . . . . 0.0 109.598 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.581 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.5 mm-40 -62.03 -39.77 93.45 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.163 -0.96 . . . . 0.0 109.904 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.915 HD13 HD11 ' A' ' 161' ' ' LEU . 52.7 mt -65.28 -39.07 92.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.029 -1.045 . . . . 0.0 109.207 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -78.37 -53.24 7.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.407 -0.808 . . . . 0.0 110.367 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -85.33 -23.01 28.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.373 -0.829 . . . . 0.0 110.457 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -110.52 155.69 15.97 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.099 -1.201 . . . . 0.0 110.099 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.61 150.58 83.78 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.803 2.335 . . . . 0.0 111.844 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.489 ' CZ2' HG21 ' A' ' 166' ' ' ILE . 0.4 OUTLIER -91.52 123.84 35.24 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.268 -0.895 . . . . 0.0 109.644 -179.638 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -134.35 166.11 23.59 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.259 -0.901 . . . . 0.0 109.334 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.93 -32.02 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 121.194 -0.941 . . . . 0.0 109.417 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.7 mtm -59.62 -40.31 87.14 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.457 -0.777 . . . . 0.0 109.633 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.87 -38.18 90.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.281 -0.887 . . . . 0.0 109.33 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -60.95 -41.27 95.97 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.193 -0.942 . . . . 0.0 109.117 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -62.27 -40.41 96.13 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.345 -0.847 . . . . 0.0 109.462 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.8 t -61.99 -41.43 98.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.255 -0.903 . . . . 0.0 109.691 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.446 HD23 HD22 ' A' ' 158' ' ' LEU . 17.2 tp -62.25 -43.16 99.46 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.238 -0.913 . . . . 0.0 109.293 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -57.09 -40.05 76.21 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.992 -1.068 . . . . 0.0 108.625 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.0 m -68.16 -42.39 80.14 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.324 -0.86 . . . . 0.0 108.887 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.586 ' SG ' HD21 ' A' ' 100' ' ' LEU . 53.5 m -60.11 -46.53 89.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.242 -0.911 . . . . 0.0 109.67 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.23 -37.51 73.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.121 -0.987 . . . . 0.0 108.56 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.77 -39.25 91.0 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.36 -0.837 . . . . 0.0 109.256 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.56 -44.82 93.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.211 -0.931 . . . . 0.0 109.288 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.736 ' CD1' HD11 ' A' ' 151' ' ' ILE . 35.8 t80 -68.66 -43.32 76.44 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.33 -0.856 . . . . 0.0 109.694 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.6 m -64.22 -39.58 94.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.32 -0.862 . . . . 0.0 110.477 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.663 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 71.6 m -67.46 -49.96 61.27 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.015 -1.053 . . . . 0.0 110.018 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 79.1 mt -65.05 -46.15 92.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.153 -0.967 . . . . 0.0 109.366 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.732 HD21 HE22 ' A' ' 148' ' ' GLN . 40.7 tp -63.1 -39.16 93.88 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.46 -0.775 . . . . 0.0 109.693 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -58.41 -49.42 77.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.238 -0.914 . . . . 0.0 110.055 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.436 ' CD2' ' NE2' ' A' ' 86' ' ' GLN . 38.4 tp -64.59 -43.16 94.71 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.09 -1.007 . . . . 0.0 109.693 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -87.12 -1.2 57.71 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.374 -0.829 . . . . 0.0 110.297 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.3 OUTLIER -52.96 -35.52 58.99 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.151 -0.968 . . . . 0.0 109.861 -179.418 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -62.28 -26.25 68.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.245 -0.91 . . . . 0.0 109.185 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -89.55 -2.26 58.28 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.359 -0.838 . . . . 0.0 109.873 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.4 mm -104.61 141.55 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.166 -0.959 . . . . 0.0 109.532 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.0 m -77.51 155.19 31.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.0 108.822 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -55.61 -43.5 76.13 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.068 -1.02 . . . . 0.0 109.538 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 31.2 m -70.65 -42.79 70.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.923 -1.111 . . . . 0.0 108.88 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.7 t -58.97 -40.24 84.18 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -38.93 87.76 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -57.6 -41.1 80.53 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.48 -0.763 . . . . 0.0 109.386 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 93.5 p -64.18 -46.09 85.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.254 -0.904 . . . . 0.0 109.765 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 147' ' ' LEU . 10.3 mp -69.05 -43.35 74.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.088 -1.007 . . . . 0.0 108.977 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.732 HE22 HD21 ' A' ' 132' ' ' LEU . 0.2 OUTLIER -63.4 -35.58 80.88 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.196 -0.94 . . . . 0.0 108.564 179.173 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.58 -42.33 96.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.411 -0.806 . . . . 0.0 109.02 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -60.36 -42.21 95.31 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.736 HD11 ' CD1' ' A' ' 128' ' ' PHE . 92.5 mt -61.88 -38.55 80.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.02 -42.18 79.92 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.636 ' HA ' HD12 ' A' ' 156' ' ' ILE . 70.2 t80 -59.14 -40.44 85.52 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . 0.667 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 64.3 m -60.33 -50.55 73.18 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 119.659 -0.816 . . . . 0.0 108.819 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -61.8 -36.86 82.33 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.26 -0.9 . . . . 0.0 109.198 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 153' ' ' TYR . 46.4 mt -58.34 -47.91 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 O-C-N 121.263 -0.898 . . . . 0.0 109.814 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.65 -38.15 90.02 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.446 HD22 HD23 ' A' ' 121' ' ' LEU . 46.8 tp -59.45 -46.55 88.43 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.632 -0.667 . . . . 0.0 109.38 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.1 m -64.16 -35.67 81.55 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.255 -0.903 . . . . 0.0 108.576 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . 0.436 ' NZ ' ' C ' ' A' ' 166' ' ' ILE . 16.6 tttm -60.61 -41.74 95.41 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.915 HD11 HD13 ' A' ' 108' ' ' LEU . 88.8 mt -64.6 -35.54 81.33 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.86 71.61 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.464 -0.772 . . . . 0.0 109.036 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -80.99 -10.65 59.68 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.307 -0.87 . . . . 0.0 109.331 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 90.73 1.54 73.67 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -94.8 139.81 30.77 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.142 -1.211 . . . . 0.0 109.73 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.489 HG21 ' CZ2' ' A' ' 113' ' ' TRP . 4.4 tp . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.823 . . . . 0.0 109.523 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 192' ' ' GLU . . . . . 0.656 ' OE2' HG21 ' A' ' 46' ' ' THR . 96.6 mt-10 . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.63 -40.34 94.51 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.311 -0.868 . . . . 0.0 109.017 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -60.9 -41.78 96.77 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.36 -0.838 . . . . 0.0 109.363 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 195' ' ' LEU . . . . . 0.457 ' HG ' HD22 ' A' ' 53' ' ' LEU . 8.2 tt -59.38 -41.76 90.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.263 -0.898 . . . . 0.0 109.171 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.56 95.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.329 -0.857 . . . . 0.0 109.216 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.29 -35.53 81.29 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.276 -0.89 . . . . 0.0 109.248 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . 0.799 HH11 HD21 ' A' ' 53' ' ' LEU . 67.0 ttt180 -60.75 -43.38 98.02 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.189 -0.945 . . . . 0.0 109.194 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 199' ' ' LEU . . . . . 0.449 HD22 HG21 ' A' ' 32' ' ' VAL . 1.4 tp -63.26 -41.97 99.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.255 -0.903 . . . . 0.0 109.385 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -59.15 -39.01 81.08 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.256 -0.902 . . . . 0.0 109.188 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.8 -35.52 80.25 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.256 -0.903 . . . . 0.0 108.848 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 202' ' ' LEU . . . . . 0.652 HD11 ' HE3' ' A' ' 60' ' ' LYS . 15.7 tp -60.13 -39.88 87.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.465 -0.772 . . . . 0.0 109.192 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -102.12 4.67 39.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.342 -0.849 . . . . 0.0 109.566 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 CA-C-O 117.955 -1.469 . . . . 0.0 109.543 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tpp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.63 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -58.95 -40.08 83.61 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.165 -0.959 . . . . 0.0 109.142 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -63.67 -38.72 92.16 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.245 -0.91 . . . . 0.0 109.191 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -57.46 -41.59 80.86 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.128 -0.983 . . . . 0.0 108.596 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 1.066 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -65.28 -39.86 93.13 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.42 97.1 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.393 -0.817 . . . . 0.0 109.681 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.446 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.52 -42.3 96.16 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.181 -0.95 . . . . 0.0 109.14 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.595 ' CG1' HD13 ' A' ' 27' ' ' LEU . 55.9 t -65.11 -37.99 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.257 -0.902 . . . . 0.0 109.797 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.561 HG22 HE22 ' A' ' 28' ' ' GLN . 79.0 t -60.64 -39.25 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.138 -0.976 . . . . 0.0 108.789 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.91 91.85 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.36 -0.838 . . . . 0.0 108.943 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.28 -32.93 70.95 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.71 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -59.26 -44.95 92.37 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.191 -0.943 . . . . 0.0 108.698 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.05 -41.81 99.58 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.262 -0.899 . . . . 0.0 108.631 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -60.68 -40.25 91.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.411 -0.806 . . . . 0.0 109.215 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -61.55 -42.51 98.94 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.413 -0.805 . . . . 0.0 109.251 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.403 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 21.8 t70 -58.9 -38.8 79.71 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 0.0 108.823 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -60.0 -30.05 68.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.379 -0.825 . . . . 0.0 109.232 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 18' ' ' VAL . 60.1 t -84.06 -3.51 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.426 -0.796 . . . . 0.0 109.797 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.43 11.82 63.8 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.1 mt -95.57 36.63 1.25 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.412 -1.052 . . . . 0.0 108.947 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.65 -32.78 25.29 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.2 mm -58.69 -48.01 87.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.069 -1.254 . . . . 0.0 109.335 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.5 mm -64.87 -44.19 96.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.211 -0.93 . . . . 0.0 109.105 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.9 -40.55 95.42 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.763 ' CE2' HD11 ' A' ' 29' ' ' LEU . 66.0 t80 -62.59 -48.36 79.79 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.23 -1.159 . . . . 0.0 110.943 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 71.2 t80 -66.32 -47.12 74.56 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.017 -1.052 . . . . 0.0 110.818 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 12' ' ' ALA . 1.7 pp -68.83 -35.65 77.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.021 -1.049 . . . . 0.0 110.095 -179.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.561 HE22 HG22 ' A' ' 9' ' ' VAL . 54.7 tp60 -60.46 -42.37 96.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.81 -1.181 . . . . 0.0 108.467 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.763 HD11 ' CE2' ' A' ' 25' ' ' TYR . 76.7 mt -59.76 -42.21 92.73 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.622 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 73.3 t80 -63.59 -36.17 82.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.325 -0.86 . . . . 0.0 108.998 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.07 83.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.347 -0.845 . . . . 0.0 109.504 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.566 HG21 HD22 ' B' ' 199' ' ' LEU . 0.6 OUTLIER -66.51 -39.05 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.94 -1.1 . . . . 0.0 108.657 179.432 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.68 -35.5 78.18 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.797 -1.189 . . . . 0.0 108.302 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.066 HD23 ' HB2' ' A' ' 5' ' ' ALA . 22.4 tp -63.43 -41.47 98.68 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.567 -0.708 . . . . 0.0 109.318 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.19 -48.15 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 O-C-N 121.205 -0.934 . . . . 0.0 110.074 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.5 mp -64.35 -36.69 84.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 109.409 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.7 p -74.79 -21.74 59.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.24 -0.913 . . . . 0.0 108.574 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.63 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 82.3 tt0 -73.02 150.81 42.09 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.335 0.588 . . . . 0.0 109.679 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.35 150.22 15.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.252 -0.905 . . . . 0.0 109.69 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -58.49 137.08 57.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.459 -0.776 . . . . 0.0 110.305 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.595 ' HE ' ' CD ' ' A' ' 38' ' ' GLU . 95.2 mtt-85 -121.93 170.37 9.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.701 -0.624 . . . . 0.0 109.48 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.7 t -57.35 170.99 0.45 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.245 -0.909 . . . . 0.0 110.319 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.61 -28.77 61.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.571 -0.706 . . . . 0.0 110.85 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -51.3 -38.9 55.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.83 -1.169 . . . . 0.0 109.149 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.577 ' O ' ' SD ' ' A' ' 45' ' ' MET . 5.3 tmm? -64.44 -37.69 88.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.233 -0.917 . . . . 0.0 108.839 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.1 m -59.39 -40.81 87.74 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.36 -0.838 . . . . 0.0 109.435 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.44 96.46 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.246 -0.909 . . . . 0.0 108.973 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 48' ' ' LEU . 85.1 mt -63.28 -37.32 86.77 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.312 -0.867 . . . . 0.0 109.32 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.02 93.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.274 -0.891 . . . . 0.0 108.864 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.2 m -62.01 -41.06 97.67 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.333 -0.854 . . . . 0.0 109.264 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.59 -42.48 98.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.227 -0.921 . . . . 0.0 109.529 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.4 mt -61.52 -39.34 90.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.948 . . . . 0.0 109.149 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.53 HD12 HD12 ' A' ' 56' ' ' ILE . 37.6 tp -60.11 -40.15 88.69 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.258 -0.901 . . . . 0.0 108.809 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -60.22 -39.9 88.26 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.1 m -60.28 -41.49 93.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.62 -0.675 . . . . 0.0 109.536 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.61 HG21 HD22 ' B' ' 202' ' ' LEU . 80.9 mt -58.24 -51.16 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.164 -0.96 . . . . 0.0 108.848 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.45 -36.14 79.56 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.576 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -63.97 -33.89 76.75 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -59.4 -54.38 47.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.384 -0.822 . . . . 0.0 108.806 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -62.67 -40.17 96.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.252 -0.905 . . . . 0.0 108.939 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -82.15 -0.94 47.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.447 -0.783 . . . . 0.0 109.602 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.9 tt0 -47.65 -33.07 6.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.336 -0.853 . . . . 0.0 110.31 -179.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.978 HD11 ' SD ' ' A' ' 79' ' ' MET . 82.5 mt -67.49 -37.94 79.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.013 -1.054 . . . . 0.0 109.556 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.74 -5.25 12.39 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.416 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 93.67 -6.59 74.1 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.52 -46.5 82.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.138 -1.213 . . . . 0.0 109.596 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.448 ' O ' ' O ' ' A' ' 70' ' ' GLU . 8.3 t -65.43 -31.39 72.46 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.911 . . . . 0.0 108.982 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.16 -28.27 67.78 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.473 -0.767 . . . . 0.0 109.551 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.36 92.68 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.997 -1.064 . . . . 0.0 109.931 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.5 mt-10 -135.83 146.26 47.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.23 -0.919 . . . . 0.0 110.018 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 49.16 40.91 18.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.403 -0.811 . . . . 0.0 109.348 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.7 p -65.01 -36.61 84.97 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.25 -0.906 . . . . 0.0 110.036 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.51 -42.09 95.67 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.147 -0.971 . . . . 0.0 109.816 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -66.85 -47.61 71.43 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.23 -0.919 . . . . 0.0 110.615 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.6 p -66.35 -40.89 90.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.034 -1.041 . . . . 0.0 109.973 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.0 mt -68.35 -39.88 81.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.37 -0.831 . . . . 0.0 110.206 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.421 ' O ' ' OG1' ' A' ' 81' ' ' THR . 32.6 t-80 -61.87 -45.52 93.41 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.188 -0.945 . . . . 0.0 110.504 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.47 -49.57 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.937 -1.102 . . . . 0.0 110.494 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.978 ' SD ' HD11 ' A' ' 63' ' ' ILE . 88.9 mtp -67.92 -46.74 70.69 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.209 -0.932 . . . . 0.0 110.876 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.433 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 20.2 m120 -69.04 -40.44 78.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.865 -1.147 . . . . 0.0 110.971 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.458 HG22 ' HD2' ' A' ' 88' ' ' LYS . 89.5 m -67.17 -49.64 63.98 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.947 -1.095 . . . . 0.0 111.768 -178.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.1 mt -74.56 -33.96 62.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.786 -1.197 . . . . 0.0 111.48 -178.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 91.4 mt -76.38 -38.03 32.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 120.882 -1.136 . . . . 0.0 111.106 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 79.5 m80 -82.28 -37.48 25.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.017 -1.052 . . . . 0.0 111.184 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.538 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 88.1 m-20 -84.96 108.05 17.39 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.845 -1.159 . . . . 0.0 110.077 -179.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -62.53 -38.77 91.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.468 -0.77 . . . . 0.0 110.348 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.98 -44.48 95.93 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.066 -1.021 . . . . 0.0 110.183 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.538 ' NZ ' ' OD2' ' A' ' 85' ' ' ASP . 49.5 mttp -62.22 -30.97 71.46 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.145 -0.972 . . . . 0.0 108.651 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.29 -43.83 80.75 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.277 -0.89 . . . . 0.0 110.05 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.8 tttt -64.35 -48.45 75.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.048 -1.033 . . . . 0.0 111.36 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.099 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -64.06 -38.66 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 120.676 -1.265 . . . . 0.0 109.14 -178.596 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 1.099 ' N ' HD13 ' A' ' 91' ' ' ILE . 56.8 t80 -63.27 -44.03 96.26 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.955 -1.09 . . . . 0.0 108.114 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 72.5 mtm -70.45 -40.95 73.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.564 -0.71 . . . . 0.0 109.698 179.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.09 -40.89 95.42 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.046 -1.034 . . . . 0.0 108.862 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -62.26 -41.57 98.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.419 -0.801 . . . . 0.0 109.043 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.52 ' CE2' HD22 ' A' ' 100' ' ' LEU . 72.4 t80 -62.67 -46.95 85.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.462 -0.774 . . . . 0.0 109.57 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 34.5 p -62.35 -42.57 99.5 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.154 -0.966 . . . . 0.0 109.598 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.6 ttm -63.23 -43.77 97.11 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.283 -0.886 . . . . 0.0 109.437 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.6 p -75.07 -35.87 61.82 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.245 -0.91 . . . . 0.0 109.742 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.52 HD22 ' CE2' ' A' ' 96' ' ' PHE . 33.7 tp -67.84 -44.99 75.91 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.227 -0.921 . . . . 0.0 109.881 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.664 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 71.2 t80 -68.42 -46.17 70.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.345 -0.847 . . . . 0.0 109.979 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -60.66 -46.29 90.89 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.261 -0.9 . . . . 0.0 109.807 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.26 -45.43 84.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.182 -0.949 . . . . 0.0 108.959 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.42 ' HE3' HD23 ' A' ' 121' ' ' LEU . 6.8 ttpm? -62.61 -37.76 87.54 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.395 -0.815 . . . . 0.0 108.838 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.0 tp -56.27 -47.29 78.88 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.506 -0.747 . . . . 0.0 109.029 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -60.7 -38.15 84.04 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 121.189 -0.944 . . . . 0.0 109.164 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.591 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.7 mm-40 -59.65 -38.9 82.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.379 -0.825 . . . . 0.0 109.273 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 63.2 mt -65.14 -37.67 88.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.93 -1.106 . . . . 0.0 109.062 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -77.25 -53.01 8.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.436 -0.79 . . . . 0.0 110.932 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -95.38 -22.66 17.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.193 -0.942 . . . . 0.0 110.71 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -93.4 155.65 22.32 Favored Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.651 -1.261 . . . . 0.0 109.964 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -66.1 153.68 77.12 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.715 2.276 . . . . 0.0 111.749 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.748 ' CZ2' HG21 ' A' ' 166' ' ' ILE . 13.6 m-90 -94.26 124.58 38.36 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.19 -0.944 . . . . 0.0 109.735 -179.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 86.9 m-20 -134.6 165.67 24.68 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.281 -0.887 . . . . 0.0 109.38 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.8 m -64.02 -31.94 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.242 -0.911 . . . . 0.0 109.253 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.9 mtm -59.34 -38.97 81.71 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.367 -0.833 . . . . 0.0 109.379 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.55 -37.91 89.13 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.264 -0.898 . . . . 0.0 109.164 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.477 ' HA ' HD12 ' A' ' 121' ' ' LEU . 23.8 mttm -60.42 -41.83 94.78 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.235 -0.916 . . . . 0.0 108.913 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -62.19 -40.04 94.72 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.435 -0.79 . . . . 0.0 109.397 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.6 m -63.03 -38.88 92.96 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.369 -0.832 . . . . 0.0 109.591 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 118' ' ' LYS . 16.3 mt -62.85 -41.6 99.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.308 -0.87 . . . . 0.0 109.64 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.805 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 86.6 m95 -63.92 -41.08 97.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.167 -0.958 . . . . 0.0 109.624 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.71 -41.36 92.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.276 -0.89 . . . . 0.0 109.928 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 78.8 m -58.82 -48.09 82.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.101 -0.999 . . . . 0.0 109.635 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.49 -37.24 74.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.177 -0.952 . . . . 0.0 109.097 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.459 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 91.1 m-20 -58.78 -39.4 80.94 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.23 -0.919 . . . . 0.0 108.847 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.45 -41.27 98.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.38 -0.825 . . . . 0.0 109.061 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.43 ' O ' ' CB ' ' A' ' 132' ' ' LEU . 28.5 m-85 -66.25 -42.75 88.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.319 -0.863 . . . . 0.0 110.03 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.2 p -66.81 -39.22 87.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.229 -0.92 . . . . 0.0 110.238 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.622 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 55.9 m -69.03 -50.08 51.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.056 -1.028 . . . . 0.0 109.992 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.452 HG23 ' CE3' ' A' ' 135' ' ' TRP . 73.4 mt -69.72 -46.5 74.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 O-C-N 121.356 -0.84 . . . . 0.0 109.923 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.43 ' CB ' ' O ' ' A' ' 128' ' ' PHE . 28.6 tp -61.07 -41.8 97.31 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.268 -0.895 . . . . 0.0 110.217 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -64.97 -49.75 69.09 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.174 -0.954 . . . . 0.0 111.203 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 36.7 tp -65.52 -46.03 81.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.026 -1.046 . . . . 0.0 110.904 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.452 ' CE3' HG23 ' A' ' 131' ' ' ILE . 4.8 m-90 -87.37 4.62 42.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.155 -0.965 . . . . 0.0 110.897 -178.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -43.15 60.8 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.028 -1.045 . . . . 0.0 109.574 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.95 -20.31 64.2 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.326 -0.859 . . . . 0.0 109.554 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.451 HD22 ' HA ' ' A' ' 135' ' ' TRP . 22.5 m-80 -89.0 -6.42 57.24 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.233 -0.917 . . . . 0.0 110.205 -179.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.9 mt -112.02 147.67 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.376 -0.827 . . . . 0.0 109.664 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.4 m -76.53 155.19 33.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.367 -0.833 . . . . 0.0 109.543 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -56.86 -37.1 70.85 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.402 -0.811 . . . . 0.0 109.979 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 36.3 m -74.17 -45.53 47.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.693 -1.254 . . . . 0.0 109.498 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 36.7 t -64.08 -44.98 90.72 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.165 -0.96 . . . . 0.0 109.788 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.566 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 1.2 t -63.6 -38.93 92.98 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.044 -1.035 . . . . 0.0 108.56 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . 0.424 ' N ' ' CG2' ' A' ' 144' ' ' THR . 1.6 t30 -55.55 -41.69 73.61 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.257 -0.902 . . . . 0.0 108.66 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.8 m -61.99 -42.28 98.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.411 -0.806 . . . . 0.0 108.896 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 53.4 mt -61.45 -38.86 88.73 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.62 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -61.21 -35.86 78.33 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.134 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.54 -43.65 98.47 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.384 -0.822 . . . . 0.0 109.2 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -60.13 -40.0 88.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.264 -0.897 . . . . 0.0 108.691 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 148' ' ' GLN . 92.2 mt -61.49 -39.57 83.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -58.7 -38.99 79.47 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.307 -0.871 . . . . 0.0 108.821 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -61.1 -42.4 98.44 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . 0.664 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 74.4 m -65.95 -50.62 63.71 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.32 -0.862 . . . . 0.0 109.074 179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -63.51 -39.67 95.04 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.281 -0.887 . . . . 0.0 109.167 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 26.9 mt -59.93 -47.94 89.69 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.294 -0.878 . . . . 0.0 109.676 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.528 ' CE2' HD11 ' A' ' 166' ' ' ILE . 2.0 t80 -63.52 -37.78 88.61 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.805 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 27.5 tp -58.79 -40.22 83.39 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.0 t -62.44 -36.34 82.11 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.364 -0.835 . . . . 0.0 108.992 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -60.93 -41.97 97.26 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.379 -0.826 . . . . 0.0 109.084 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 161' ' ' LEU . 4.4 mm? -65.84 -35.25 80.13 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.936 . . . . 0.0 109.339 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.47 85.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.892 . . . . 0.0 109.754 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -81.69 -12.06 58.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.35 -4.52 80.4 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -95.31 142.96 27.1 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.283 -1.128 . . . . 0.0 109.232 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.748 HG21 ' CZ2' ' A' ' 113' ' ' TRP . 10.3 tp . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.355 -0.84 . . . . 0.0 109.557 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 N--CA 1.486 1.361 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.69 -41.33 97.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.356 -0.84 . . . . 0.0 109.209 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -61.69 -42.47 98.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.232 -0.917 . . . . 0.0 109.426 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 37.6 tp -62.82 -40.87 98.72 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.197 -0.939 . . . . 0.0 109.366 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.9 97.6 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.252 -0.905 . . . . 0.0 109.209 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.08 -35.18 80.33 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.24 -0.913 . . . . 0.0 109.162 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -60.21 -43.75 95.7 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.292 -0.88 . . . . 0.0 109.325 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 199' ' ' LEU . . . . . 0.566 HD22 HG21 ' A' ' 32' ' ' VAL . 3.5 tp -63.81 -43.04 97.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.915 . . . . 0.0 109.345 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -58.52 -37.83 76.47 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.321 -0.862 . . . . 0.0 109.018 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.81 81.48 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 202' ' ' LEU . . . . . 0.61 HD22 HG21 ' A' ' 56' ' ' ILE . 5.8 tp -59.59 -39.72 85.1 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.55 -0.719 . . . . 0.0 109.076 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -87.71 -10.04 52.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.341 -0.849 . . . . 0.0 109.262 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.827 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.406 ' H3 ' ' HB2' ' A' ' 4' ' ' ASN . 88.1 mtp . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.331 0.586 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.625 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -59.42 -40.84 87.99 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.157 -0.965 . . . . 0.0 109.218 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -63.54 -38.52 91.45 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.165 -0.959 . . . . 0.0 108.99 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.406 ' HB2' ' H3 ' ' A' ' 1' ' ' MET . 86.3 m-20 -57.34 -39.49 76.0 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.72 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.17 -39.88 94.93 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.32 94.87 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.37 -0.831 . . . . 0.0 109.208 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -60.3 -42.0 94.61 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.602 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -60.53 -38.51 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.26 -0.9 . . . . 0.0 109.336 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.98 -37.97 78.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.25 -0.906 . . . . 0.0 108.775 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.85 97.74 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.402 -0.919 . . . . 0.0 108.64 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 7' ' ' ARG . 4.9 p -72.15 -32.99 67.4 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.409 -0.807 . . . . 0.0 109.032 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.83 86.27 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.379 -0.826 . . . . 0.0 109.119 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -64.39 -46.05 85.0 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.352 -0.842 . . . . 0.0 109.079 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -61.84 -39.15 90.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.257 -0.902 . . . . 0.0 109.245 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.55 -43.47 97.18 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.31 -0.869 . . . . 0.0 109.156 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.49 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 55.5 t0 -60.03 -38.06 81.6 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.263 -0.898 . . . . 0.0 109.053 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -59.25 -30.33 68.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.369 -0.832 . . . . 0.0 109.166 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 18' ' ' VAL . 65.7 t -83.83 -8.84 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.36 -0.837 . . . . 0.0 109.424 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.39 17.02 56.28 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.7 mt -95.75 47.74 1.12 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.367 -1.078 . . . . 0.0 109.243 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.32 -34.23 53.8 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.789 -1.325 . . . . 0.0 109.789 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 22' ' ' ILE . 8.6 mm -60.27 -51.22 75.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.144 -1.209 . . . . 0.0 109.421 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.1 mm -64.55 -42.04 94.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.296 -0.877 . . . . 0.0 109.15 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.558 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -58.98 -39.56 94.35 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.749 ' CE2' HD11 ' A' ' 29' ' ' LEU . 67.3 t80 -63.22 -47.64 81.66 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.161 -1.199 . . . . 0.0 110.394 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.675 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 69.2 t80 -60.28 -46.48 89.69 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.235 -0.916 . . . . 0.0 111.298 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.558 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.7 pp -64.43 -33.24 75.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.557 -1.34 . . . . 0.0 109.745 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.499 ' N ' HD12 ' A' ' 27' ' ' LEU . 92.6 mt-30 -60.0 -39.63 86.41 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.617 -1.302 . . . . 0.0 107.834 178.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.749 HD11 ' CE2' ' A' ' 25' ' ' TYR . 85.6 mt -61.34 -38.04 85.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 178.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -65.85 -37.45 86.23 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.408 -0.807 . . . . 0.0 109.495 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.52 93.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.336 -0.853 . . . . 0.0 110.383 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.414 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -65.24 -42.86 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.836 -1.165 . . . . 0.0 109.237 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.66 -35.35 77.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.907 -1.12 . . . . 0.0 109.009 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.72 HD23 ' HB2' ' A' ' 5' ' ' ALA . 28.9 tp -64.44 -42.45 95.99 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.353 -0.842 . . . . 0.0 109.954 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.408 HD11 ' CD1' ' A' ' 52' ' ' LEU . 92.9 mt -62.4 -48.03 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.119 -0.988 . . . . 0.0 110.115 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -62.67 -36.06 81.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.313 -0.867 . . . . 0.0 109.246 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.3 m -83.91 0.03 49.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.257 -0.902 . . . . 0.0 108.973 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.625 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 84.5 tt0 -89.82 150.01 22.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.481 -0.762 . . . . 0.0 109.909 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.07 151.15 15.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.409 -0.807 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -57.9 130.64 47.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 0.0 109.707 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.412 HH11 ' HB2' ' A' ' 45' ' ' MET . 57.5 ttt-85 -117.41 169.71 9.3 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.7 p -57.77 166.5 1.39 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.124 -0.985 . . . . 0.0 110.417 -178.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.76 -32.03 65.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.668 -0.645 . . . . 0.0 110.652 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.06 -37.11 31.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.832 -1.167 . . . . 0.0 108.346 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.563 ' O ' ' SD ' ' A' ' 45' ' ' MET . 4.8 tmm? -63.28 -38.15 90.03 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.428 -0.795 . . . . 0.0 108.919 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.7 m -59.69 -40.49 88.03 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.494 -0.753 . . . . 0.0 109.146 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.85 97.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.236 -0.915 . . . . 0.0 108.904 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 48' ' ' LEU . 89.1 mt -63.72 -37.45 87.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.868 . . . . 0.0 109.239 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.78 97.36 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.238 -0.914 . . . . 0.0 108.791 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.2 m -60.7 -39.86 90.12 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.308 -0.87 . . . . 0.0 109.085 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.51 -40.94 96.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.352 -0.842 . . . . 0.0 109.455 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' CD1' HD11 ' A' ' 35' ' ' ILE . 81.5 mt -60.75 -42.27 97.07 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.148 -0.97 . . . . 0.0 109.518 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.577 HD12 ' HD3' ' B' ' 198' ' ' ARG . 3.9 mm? -60.76 -40.47 92.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.019 -1.05 . . . . 0.0 108.68 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -61.61 -37.84 85.42 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 59' ' ' PHE . 48.5 m -59.88 -41.29 91.25 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.672 -0.643 . . . . 0.0 109.667 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.58 HG21 HD22 ' B' ' 202' ' ' LEU . 81.6 mt -57.55 -53.98 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.045 -1.035 . . . . 0.0 108.797 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -62.39 -36.95 83.91 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.601 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.99 -32.3 72.61 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 55' ' ' THR . 78.7 t80 -59.43 -54.09 50.67 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.336 -0.853 . . . . 0.0 109.344 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -62.45 -44.0 97.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.957 . . . . 0.0 109.603 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -83.2 -2.23 55.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.32 -0.862 . . . . 0.0 110.345 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.601 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.41 -34.94 17.68 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 110.046 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.72 HD11 ' SD ' ' A' ' 79' ' ' MET . 86.1 mt -68.65 -41.26 82.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.137 -0.977 . . . . 0.0 109.854 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.51 -5.33 81.65 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.99 -0.82 84.52 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -66.73 -46.83 74.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.066 -1.255 . . . . 0.0 108.788 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 t -67.7 -31.41 71.36 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.525 0.679 . . . . 0.0 109.338 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' ALA . 79.0 mm-40 -60.98 -30.04 70.04 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.55 -0.719 . . . . 0.0 109.792 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -40.96 -36.99 0.73 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.232 -0.918 . . . . 0.0 110.375 -179.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -113.07 134.06 54.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.213 -0.929 . . . . 0.0 109.777 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 49.78 48.37 21.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.283 -0.886 . . . . 0.0 109.242 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.5 p -59.74 -36.88 77.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.225 -0.922 . . . . 0.0 110.446 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.6 ' O ' ' CD2' ' A' ' 77' ' ' HIS . 90.2 m-20 -62.6 -45.44 92.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.069 -1.019 . . . . 0.0 110.453 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -64.34 -41.49 96.75 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.118 -0.989 . . . . 0.0 110.641 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.5 m -62.52 -45.01 94.94 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.015 -1.053 . . . . 0.0 110.101 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 89.2 mt -67.22 -37.57 83.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.185 -0.947 . . . . 0.0 109.916 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 56.8 m-70 -60.1 -45.4 93.07 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.173 -0.954 . . . . 0.0 110.372 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.4 t -69.04 -50.37 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.945 -1.097 . . . . 0.0 110.196 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.72 ' SD ' HD11 ' A' ' 63' ' ' ILE . 70.1 mtm -68.51 -46.51 69.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.121 -0.987 . . . . 0.0 110.473 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.584 ' OD1' ' CE1' ' A' ' 84' ' ' HIS . 36.1 t30 -66.53 -43.48 85.08 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.077 -1.014 . . . . 0.0 110.899 -178.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.63 HG22 ' HD2' ' A' ' 88' ' ' LYS . 39.1 m -68.57 -49.05 62.41 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.126 -0.984 . . . . 0.0 111.797 -178.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.8 mt -72.12 -34.14 68.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.795 -1.191 . . . . 0.0 111.279 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 86.8 mt -79.13 -34.57 16.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.02 -1.05 . . . . 0.0 111.188 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.584 ' CE1' ' OD1' ' A' ' 80' ' ' ASN . 78.6 m80 -92.34 -26.65 17.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 0.0 111.269 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.568 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 54.2 t0 -87.84 105.94 17.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.676 -1.265 . . . . 0.0 109.994 -179.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.785 ' NE2' HD21 ' A' ' 134' ' ' LEU . 50.4 tt0 -62.33 -37.31 85.15 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.385 -0.822 . . . . 0.0 110.446 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.97 -45.35 92.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 0.0 109.829 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.63 ' HD2' HG22 ' A' ' 81' ' ' THR . 33.2 mttp -64.89 -34.53 78.6 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.261 -0.899 . . . . 0.0 109.043 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.29 -42.06 72.55 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.132 -0.98 . . . . 0.0 109.312 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -48.4 81.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.126 -0.984 . . . . 0.0 109.768 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.774 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -72.77 -43.05 61.46 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.326 -0.859 . . . . 0.0 109.324 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.774 ' N ' HD12 ' A' ' 91' ' ' ILE . 58.7 t80 -63.41 -48.69 76.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.197 -0.939 . . . . 0.0 109.059 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.675 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 65.0 mtm -65.72 -37.64 86.98 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 0.0 109.686 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.0 tp -61.21 -41.27 96.55 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.08 -1.012 . . . . 0.0 108.952 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -61.9 -42.54 99.19 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.31 -0.869 . . . . 0.0 109.387 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -64.45 -49.0 73.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 0.0 109.763 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.786 HG22 HD23 ' A' ' 127' ' ' LEU . 35.4 p -62.69 -43.52 98.59 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.132 -0.98 . . . . 0.0 109.924 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 94.0 mmm -65.27 -42.07 93.56 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.137 -0.977 . . . . 0.0 109.407 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.8 p -72.58 -36.38 68.16 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.262 -0.899 . . . . 0.0 109.514 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.517 HD21 ' HE3' ' A' ' 104' ' ' LYS . 30.6 tp -66.51 -42.09 87.88 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.285 -0.884 . . . . 0.0 109.667 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.665 ' CZ ' ' SG ' ' A' ' 154' ' ' CYS . 75.8 t80 -64.66 -43.93 92.03 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.396 -0.815 . . . . 0.0 109.975 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -58.95 -46.18 88.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.234 -0.916 . . . . 0.0 109.951 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.17 -45.98 82.68 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.162 -0.961 . . . . 0.0 109.488 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.517 ' HE3' HD21 ' A' ' 100' ' ' LEU . 25.3 mttm -65.02 -36.14 83.44 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.316 -0.865 . . . . 0.0 109.174 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.4 tp -55.42 -48.59 74.18 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.307 -0.871 . . . . 0.0 108.886 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -60.85 -38.04 84.17 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.256 -0.902 . . . . 0.0 108.958 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.59 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.0 mt-30 -60.68 -39.37 88.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.375 -0.828 . . . . 0.0 109.503 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.457 HD22 ' CZ2' ' A' ' 113' ' ' TRP . 52.0 mt -64.81 -37.81 88.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.921 -1.112 . . . . 0.0 109.267 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -77.96 -53.73 7.11 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.308 -0.87 . . . . 0.0 110.808 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -99.0 -22.97 15.47 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.27 -0.894 . . . . 0.0 110.894 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -90.26 148.99 19.98 Favored Glycine 0 N--CA 1.492 2.415 0 C-N-CA 119.52 -1.324 . . . . 0.0 110.166 -178.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -72.34 154.35 56.13 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.653 2.235 . . . . 0.0 112.147 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.528 ' CZ3' HD11 ' A' ' 161' ' ' LEU . 57.5 m95 -86.61 123.73 32.12 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.205 -0.935 . . . . 0.0 109.377 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -131.49 163.04 28.85 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.345 -0.847 . . . . 0.0 109.012 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.449 ' H ' HG13 ' A' ' 115' ' ' VAL . 2.4 m -62.15 -32.75 55.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.183 -0.948 . . . . 0.0 109.112 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.408 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.6 mtm -60.52 -43.4 97.15 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.442 -0.786 . . . . 0.0 109.712 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 72.4 mt -67.69 -37.54 82.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.355 -0.841 . . . . 0.0 109.581 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.411 ' O ' ' CE3' ' A' ' 122' ' ' TRP . 58.2 mttp -60.11 -42.77 95.43 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.262 -0.899 . . . . 0.0 110.037 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -67.4 -45.73 75.32 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.882 -1.136 . . . . 0.0 110.155 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.417 ' N ' HH22 ' A' ' 7' ' ' ARG . 84.1 p -71.99 -42.1 66.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.185 -0.947 . . . . 0.0 110.243 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.16 -39.06 89.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.118 -0.989 . . . . 0.0 109.439 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.857 ' CZ2' HD11 ' A' ' 158' ' ' LEU . 0.9 OUTLIER -59.73 -44.89 93.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.022 -1.049 . . . . 0.0 108.325 179.334 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 78.7 m -65.28 -33.66 76.51 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.407 -0.808 . . . . 0.0 109.282 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 120' ' ' SER . 74.4 m -57.92 -50.17 74.25 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.289 -0.882 . . . . 0.0 109.69 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 72.7 mt -62.02 -44.13 98.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 O-C-N 121.117 -0.989 . . . . 0.0 109.354 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.497 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 89.3 m-20 -63.97 -39.56 94.4 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.305 -0.872 . . . . 0.0 109.896 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.786 HD23 HG22 ' A' ' 97' ' ' THR . 39.5 tp -62.61 -45.56 92.29 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 109.834 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.579 ' HE1' HD11 ' A' ' 132' ' ' LEU . 25.6 t80 -66.6 -42.83 86.28 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.306 -0.871 . . . . 0.0 109.47 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.1 p -63.75 -34.12 77.18 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.886 . . . . 0.0 109.559 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 126' ' ' ASP . 73.1 m -65.11 -43.94 90.39 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.232 -0.918 . . . . 0.0 109.027 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 95.7 mt -58.52 -44.15 88.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 O-C-N 121.373 -0.829 . . . . 0.0 109.664 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.591 ' O ' ' N ' ' A' ' 136' ' ' LYS . 53.2 mt -62.79 -39.07 93.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.261 -0.899 . . . . 0.0 109.729 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -57.82 -49.34 76.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.314 -0.866 . . . . 0.0 110.411 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.785 HD21 ' NE2' ' A' ' 86' ' ' GLN . 41.1 tp -64.3 -45.74 86.63 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.99 -1.069 . . . . 0.0 110.025 -179.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -87.98 -0.65 57.28 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.223 -0.923 . . . . 0.0 110.958 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.591 ' N ' ' O ' ' A' ' 132' ' ' LEU . 2.4 tmtt? -49.24 -39.0 28.63 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.857 -1.152 . . . . 0.0 109.875 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.06 -26.26 67.41 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.158 -0.963 . . . . 0.0 109.785 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -89.01 -5.97 57.54 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.2 -0.937 . . . . 0.0 110.569 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.0 mm -104.67 143.29 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.063 -1.023 . . . . 0.0 109.295 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 30.7 t -78.14 154.3 31.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.292 -0.88 . . . . 0.0 109.192 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.53 -39.38 64.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.802 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.0 m -72.26 -45.34 60.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.856 -1.153 . . . . 0.0 109.466 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 44.3 t -64.06 -44.75 91.46 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.206 -0.934 . . . . 0.0 109.701 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.408 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.6 OUTLIER -63.67 -38.8 92.49 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.047 -1.033 . . . . 0.0 108.498 179.46 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.24 -43.33 78.57 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.338 -0.851 . . . . 0.0 109.133 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.0 m -61.21 -44.64 96.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.256 -0.902 . . . . 0.0 109.292 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 46.1 mt -61.63 -38.83 89.13 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.618 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -61.9 -35.62 78.89 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.154 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -61.35 -42.1 98.13 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.263 -0.898 . . . . 0.0 108.874 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -58.4 -42.65 87.61 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 33.0 mm -64.23 -37.95 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 156' ' ' ILE . 30.0 tttt -57.49 -39.21 75.93 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -61.51 -46.96 87.78 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . 0.665 ' SG ' ' CZ ' ' A' ' 101' ' ' TYR . 38.1 m -67.14 -49.91 63.13 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -61.8 -32.06 72.32 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 152' ' ' LYS . 1.8 mt -58.25 -37.93 65.7 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -39.47 93.34 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 178.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.857 HD11 ' CZ2' ' A' ' 122' ' ' TRP . 1.8 mm? -59.04 -39.03 80.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.369 -0.832 . . . . 0.0 108.887 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.0 t -61.45 -43.46 98.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.401 -0.812 . . . . 0.0 109.886 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -61.69 -39.12 90.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.064 -1.022 . . . . 0.0 109.494 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.528 HD11 ' CZ3' ' A' ' 113' ' ' TRP . 56.6 mt -61.64 -37.35 83.69 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.033 -1.042 . . . . 0.0 108.791 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.5 80.95 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.399 -0.813 . . . . 0.0 109.051 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -81.42 -12.81 58.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.277 -0.889 . . . . 0.0 109.167 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.33 0.4 70.46 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.73 142.23 27.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.079 -1.248 . . . . 0.0 109.704 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.404 ' CD1' ' CD2' ' A' ' 161' ' ' LEU . 36.3 mm . . . . . 0 N--CA 1.489 1.524 0 O-C-N 121.427 -0.796 . . . . 0.0 109.495 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -62.29 -39.05 91.69 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.326 -0.859 . . . . 0.0 109.138 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -60.8 -47.14 87.71 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.32 -0.862 . . . . 0.0 109.503 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 195' ' ' LEU . . . . . 0.445 ' N ' HD12 ' B' ' 195' ' ' LEU . 6.5 mp -67.14 -40.52 86.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.116 -0.99 . . . . 0.0 109.321 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -66.6 -44.62 81.63 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.27 -0.894 . . . . 0.0 109.48 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -65.3 -35.58 81.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.287 -0.883 . . . . 0.0 109.44 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . 0.577 ' HD3' HD12 ' A' ' 53' ' ' LEU . 77.6 ttt180 -61.51 -42.79 99.33 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.259 -0.901 . . . . 0.0 109.382 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 199' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 32' ' ' VAL . 8.3 tp -63.97 -42.76 97.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.277 -0.89 . . . . 0.0 109.467 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -60.51 -39.64 88.51 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.241 -0.912 . . . . 0.0 109.315 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.33 -36.26 82.46 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.123 -0.985 . . . . 0.0 108.639 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 202' ' ' LEU . . . . . 0.58 HD22 HG21 ' A' ' 56' ' ' ILE . 14.9 tp -60.7 -38.21 84.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.549 -0.719 . . . . 0.0 109.191 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -87.61 -10.96 49.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.271 -0.893 . . . . 0.0 109.414 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.353 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.301 0.572 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.16 -40.01 84.28 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.144 -0.972 . . . . 0.0 109.116 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -64.48 -34.67 78.75 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.146 -0.971 . . . . 0.0 108.862 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -58.89 -42.38 89.37 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.521 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.48 -39.77 95.32 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.1 93.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.331 -0.855 . . . . 0.0 109.182 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.436 ' CG ' HH11 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.02 -41.5 92.3 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.171 -0.956 . . . . 0.0 108.516 179.386 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.95 -37.4 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.372 -0.83 . . . . 0.0 109.08 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.57 -38.01 76.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.79 -42.51 97.72 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 11' ' ' THR . 7.7 p -69.21 -35.24 76.0 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.447 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -55.9 -46.06 78.49 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -63.61 -39.19 93.74 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.323 -0.861 . . . . 0.0 108.826 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -60.04 -43.0 95.62 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.37 -0.831 . . . . 0.0 109.744 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -61.87 -41.13 97.48 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.085 -1.009 . . . . 0.0 109.441 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.489 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 21.1 t70 -58.78 -39.15 80.21 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.157 -0.965 . . . . 0.0 108.919 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -60.88 -33.15 72.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.392 -0.818 . . . . 0.0 109.388 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -84.41 -8.49 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.319 -0.863 . . . . 0.0 109.519 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.408 ' C ' HD22 ' A' ' 20' ' ' LEU . . . 89.48 9.52 66.7 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 2.7 mm? -95.64 50.79 1.24 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.326 -1.103 . . . . 0.0 108.655 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.29 -32.76 64.15 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.561 ' CD1' ' N ' ' A' ' 22' ' ' ILE . 1.2 mp -57.88 -48.48 83.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 120.992 -1.299 . . . . 0.0 109.555 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.1 mm -61.9 -42.5 94.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.221 -0.924 . . . . 0.0 108.642 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.563 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -60.76 -38.46 95.25 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.804 ' CE2' HD11 ' A' ' 29' ' ' LEU . 72.4 t80 -63.27 -47.45 82.3 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.082 -1.246 . . . . 0.0 110.764 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.667 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 78.0 t80 -61.26 -45.72 93.34 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.203 -0.936 . . . . 0.0 111.311 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.563 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.8 pp -65.04 -33.67 76.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.601 -1.312 . . . . 0.0 109.73 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.493 ' N ' HD12 ' A' ' 27' ' ' LEU . 93.1 mt-30 -60.22 -40.1 88.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.598 -1.314 . . . . 0.0 107.78 178.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.804 HD11 ' CE2' ' A' ' 25' ' ' TYR . 92.7 mt -61.25 -37.14 82.03 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.589 ' CZ ' ' OD2' ' A' ' 126' ' ' ASP . 85.8 t80 -66.6 -35.85 81.18 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.462 -0.773 . . . . 0.0 109.168 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.9 -45.78 93.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.319 -0.863 . . . . 0.0 110.113 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.472 HG21 HD22 ' B' ' 199' ' ' LEU . 2.0 p -65.44 -42.0 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.907 -1.121 . . . . 0.0 108.823 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.68 -35.38 77.81 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.929 -1.107 . . . . 0.0 108.78 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' A' ' 5' ' ' ALA . 21.7 tp -63.05 -42.77 99.81 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.456 -0.778 . . . . 0.0 109.694 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.5 mt -62.73 -48.2 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 121.211 -0.931 . . . . 0.0 109.905 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.504 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -65.38 -34.93 79.48 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.357 -0.839 . . . . 0.0 109.367 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.0 m -82.42 -0.15 44.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.203 -0.936 . . . . 0.0 109.114 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -90.83 150.08 21.7 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.374 -0.829 . . . . 0.0 109.622 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.91 150.18 17.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.152 -0.967 . . . . 0.0 109.271 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -58.54 133.31 55.72 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.275 -0.89 . . . . 0.0 109.987 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -122.87 170.13 10.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.714 -0.616 . . . . 0.0 109.467 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p -58.32 171.26 0.59 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.28 -0.888 . . . . 0.0 109.556 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -56.29 -27.84 56.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.389 -0.819 . . . . 0.0 110.512 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.56 -40.52 52.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.793 -1.192 . . . . 0.0 109.372 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 56.0 ttp -63.97 -36.88 85.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.019 -1.051 . . . . 0.0 109.222 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.7 p -63.21 -36.43 83.61 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 121.204 -0.935 . . . . 0.0 109.104 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.2 96.36 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.278 -0.889 . . . . 0.0 108.665 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.01 -36.35 83.28 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.364 -0.835 . . . . 0.0 109.065 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.88 98.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.267 -0.895 . . . . 0.0 109.053 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.2 m -61.21 -42.9 99.4 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.225 -0.922 . . . . 0.0 109.125 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.63 -41.2 98.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.276 -0.89 . . . . 0.0 109.059 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.45 -40.55 91.56 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.286 -0.884 . . . . 0.0 109.106 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.77 HD22 HD11 ' B' ' 195' ' ' LEU . 40.1 tp -60.01 -40.62 89.91 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.234 -0.916 . . . . 0.0 108.912 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -59.88 -40.25 88.05 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.9 m -60.49 -40.77 92.52 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.675 -0.64 . . . . 0.0 109.599 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.617 HD12 HD12 ' A' ' 53' ' ' LEU . 83.6 mt -57.19 -53.11 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.182 -0.949 . . . . 0.0 109.05 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.587 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 97.0 mt-10 -63.47 -36.59 84.26 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.48 -33.59 76.04 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' THR . 75.9 t80 -59.65 -54.49 45.76 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.262 -0.899 . . . . 0.0 109.452 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -61.08 -43.88 98.22 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.129 -0.982 . . . . 0.0 109.564 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -83.0 -3.21 56.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.261 -0.9 . . . . 0.0 110.386 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.6 tt0 -50.4 -34.26 23.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.084 -1.01 . . . . 0.0 109.96 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.403 ' C ' ' H ' ' A' ' 65' ' ' GLY . 85.9 mt -68.32 -37.02 77.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.187 -0.945 . . . . 0.0 109.604 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.68 -5.39 11.71 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.403 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 91.23 -4.59 80.85 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.09 -46.6 83.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.057 -1.261 . . . . 0.0 109.658 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.6 m -64.97 -35.04 79.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.278 -0.889 . . . . 0.0 109.014 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.673 ' OE2' HD21 ' A' ' 76' ' ' LEU . 96.9 mt-10 -63.27 -28.83 70.29 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.553 -0.717 . . . . 0.0 109.723 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -39.55 -37.48 0.49 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.338 -0.851 . . . . 0.0 110.031 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -112.39 133.86 54.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.361 -0.837 . . . . 0.0 109.248 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 51.08 47.88 24.07 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.176 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.9 p -58.65 -36.79 74.68 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.176 -0.953 . . . . 0.0 110.112 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -61.04 -44.62 97.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.109 -0.995 . . . . 0.0 109.922 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -67.98 -45.24 74.7 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.35 -0.844 . . . . 0.0 110.534 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.1 m -61.12 -43.99 98.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.07 -1.019 . . . . 0.0 110.147 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.673 HD21 ' OE2' ' A' ' 68' ' ' GLU . 96.7 mt -68.02 -39.35 83.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.266 -0.896 . . . . 0.0 110.111 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.5 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 75.9 t60 -62.76 -45.63 91.81 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.285 -0.884 . . . . 0.0 110.241 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.0 t -69.51 -48.74 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.086 -1.009 . . . . 0.0 110.573 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 96.8 mmm -66.91 -45.66 77.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.225 -0.922 . . . . 0.0 111.031 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.63 ' OD1' ' N ' ' A' ' 81' ' ' THR . 29.7 p-10 -70.54 -41.69 72.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.799 -1.188 . . . . 0.0 111.139 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.63 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 63.2 m -63.21 -47.33 83.01 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.92 -1.113 . . . . 0.0 111.385 -178.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.9 mt -73.6 -34.04 64.88 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.976 -1.077 . . . . 0.0 111.043 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.5 mt -79.66 -42.43 22.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 120.977 -1.077 . . . . 0.0 110.992 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.485 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 76.1 m80 -72.87 -47.88 42.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.022 -1.049 . . . . 0.0 111.087 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.439 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 64.5 t0 -83.93 110.38 18.36 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.904 -1.123 . . . . 0.0 110.222 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -61.94 -36.73 82.27 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.495 -0.753 . . . . 0.0 110.299 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.93 -41.77 88.12 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.162 -0.961 . . . . 0.0 109.887 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.608 ' O ' HD13 ' A' ' 91' ' ' ILE . 30.2 mmtm -61.52 -36.62 81.06 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.85 69.95 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.318 -0.864 . . . . 0.0 109.588 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -58.16 -48.89 78.89 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.233 -0.917 . . . . 0.0 110.887 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.912 HD13 ' H ' ' A' ' 92' ' ' TYR . 0.1 OUTLIER -78.29 -37.5 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.723 -1.235 . . . . 0.0 108.916 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.912 ' H ' HD13 ' A' ' 91' ' ' ILE . 64.6 t80 -60.8 -46.94 88.54 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.667 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 71.7 mtm -66.75 -38.51 86.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.3 -0.875 . . . . 0.0 109.23 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 tp -61.96 -41.01 97.51 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.183 -0.948 . . . . 0.0 109.218 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -64.24 -44.61 91.3 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.502 -0.749 . . . . 0.0 109.986 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.516 ' HE2' HD22 ' A' ' 100' ' ' LEU . 56.0 t80 -64.51 -44.25 91.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.283 -0.885 . . . . 0.0 109.946 -179.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.76 HG22 HD23 ' A' ' 127' ' ' LEU . 32.9 p -61.99 -41.42 98.01 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.105 -0.997 . . . . 0.0 109.561 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.3 ttm -64.6 -46.08 84.19 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.231 -0.918 . . . . 0.0 109.258 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.1 p -72.6 -37.27 68.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.326 -0.859 . . . . 0.0 109.717 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.516 HD22 ' HE2' ' A' ' 96' ' ' PHE . 20.8 tp -66.57 -40.84 89.18 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.316 -0.865 . . . . 0.0 109.395 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.715 ' CE2' HD11 ' A' ' 105' ' ' LEU . 86.8 t80 -63.71 -44.81 92.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.465 -0.772 . . . . 0.0 109.871 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -58.91 -41.58 87.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 109.562 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -61.34 -40.53 94.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.3 -0.875 . . . . 0.0 109.486 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.552 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 83.9 mttt -62.48 -40.91 98.19 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.242 -0.911 . . . . 0.0 109.752 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.715 HD11 ' CE2' ' A' ' 101' ' ' TYR . 83.1 mt -58.29 -44.2 88.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.077 -1.014 . . . . 0.0 109.176 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -60.68 -39.01 86.83 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.208 -0.932 . . . . 0.0 109.31 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' A' ' 111' ' ' GLY . 94.7 mt-30 -63.08 -39.18 93.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.364 -0.835 . . . . 0.0 109.764 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.647 HD13 ' CE2' ' A' ' 157' ' ' TYR . 80.2 mt -64.13 -37.5 87.68 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.008 -1.057 . . . . 0.0 109.692 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -77.48 -53.69 7.33 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.2 -0.937 . . . . 0.0 110.817 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -98.74 -22.87 15.66 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.215 -0.928 . . . . 0.0 110.882 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -87.91 154.61 25.79 Favored Glycine 0 N--CA 1.493 2.495 0 C-N-CA 119.485 -1.341 . . . . 0.0 110.224 -178.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.09 154.31 70.61 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.853 2.369 . . . . 0.0 111.903 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.443 ' CZ2' ' O ' ' A' ' 108' ' ' LEU . 19.5 m-90 -96.55 120.75 37.44 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.219 -0.925 . . . . 0.0 109.746 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 39.5 t0 -135.78 165.57 25.3 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.144 -0.972 . . . . 0.0 109.315 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.488 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 4.2 m -62.92 -32.07 54.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.317 -0.865 . . . . 0.0 109.689 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.403 ' N ' HG23 ' A' ' 115' ' ' VAL . 68.6 mtm -59.15 -39.63 83.05 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.33 -0.856 . . . . 0.0 109.436 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.54 -37.96 89.32 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.19 -0.944 . . . . 0.0 109.084 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.638 ' HE2' HD23 ' A' ' 161' ' ' LEU . 73.3 mttt -58.85 -42.99 90.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.293 -0.879 . . . . 0.0 108.869 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -61.53 -39.32 90.62 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.426 -0.796 . . . . 0.0 109.097 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.552 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 21.5 t -62.11 -39.81 93.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.318 -0.864 . . . . 0.0 109.598 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.85 -41.61 98.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.252 -0.905 . . . . 0.0 109.502 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.48 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 77.3 m95 -61.13 -42.42 98.5 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.063 -1.023 . . . . 0.0 109.503 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . 0.542 ' SG ' ' N ' ' A' ' 124' ' ' CYS . 0.1 OUTLIER -69.41 -41.79 75.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.175 -0.953 . . . . 0.0 109.669 179.757 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.542 ' N ' ' SG ' ' A' ' 123' ' ' CYS . 0.0 OUTLIER -62.61 -50.07 72.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.263 -0.898 . . . . 0.0 110.067 -179.625 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.659 HG23 HG23 ' A' ' 151' ' ' ILE . 92.8 mt -60.24 -43.53 93.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.16 -0.962 . . . . 0.0 109.627 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . 0.589 ' OD2' ' CZ ' ' A' ' 30' ' ' TYR . 55.0 t0 -62.47 -41.65 98.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.282 -0.886 . . . . 0.0 109.98 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.76 HD23 HG22 ' A' ' 97' ' ' THR . 43.1 tp -63.39 -42.71 98.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -0.892 . . . . 0.0 109.973 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.7 ' CE2' HD11 ' A' ' 132' ' ' LEU . 34.4 t80 -67.13 -43.95 81.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.311 -0.868 . . . . 0.0 109.347 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -68.46 -36.76 79.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.351 -0.843 . . . . 0.0 109.87 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' A' ' 126' ' ' ASP . 93.4 m -60.19 -49.14 78.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -0.874 . . . . 0.0 109.894 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.53 -50.17 81.41 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.071 -1.018 . . . . 0.0 109.741 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.7 HD11 ' CE2' ' A' ' 128' ' ' PHE . 67.3 mt -66.56 -36.64 83.15 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.903 . . . . 0.0 110.116 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -59.61 -49.77 76.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.068 -1.02 . . . . 0.0 109.838 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 36.2 tp -67.01 -42.86 84.26 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.091 -1.006 . . . . 0.0 109.435 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.411 ' HA ' HD22 ' A' ' 138' ' ' ASN . 88.3 m95 -86.89 4.08 42.86 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.498 -0.752 . . . . 0.0 109.914 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -53.08 -37.9 62.06 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.298 -0.876 . . . . 0.0 109.855 -179.584 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.94 -24.05 67.68 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.137 -0.977 . . . . 0.0 109.471 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.411 HD22 ' HA ' ' A' ' 135' ' ' TRP . 51.1 m-80 -89.41 -6.61 56.42 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.318 -0.864 . . . . 0.0 109.999 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.9 mt -111.71 148.0 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.369 -0.832 . . . . 0.0 109.553 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 31.5 t -76.74 154.37 34.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.266 -0.896 . . . . 0.0 109.451 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -57.61 -39.36 76.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.316 -0.865 . . . . 0.0 110.037 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 53.2 m -70.32 -45.15 66.8 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.673 -1.267 . . . . 0.0 109.409 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 31.8 m -63.62 -44.94 92.44 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.198 -0.939 . . . . 0.0 109.413 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.582 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.6 OUTLIER -65.44 -39.06 91.6 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.201 -0.937 . . . . 0.0 108.607 179.429 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . 0.598 ' C ' HD22 ' A' ' 145' ' ' ASN . 0.1 OUTLIER -55.12 -41.58 71.89 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.318 -0.864 . . . . 0.0 108.881 179.425 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.3 m -63.67 -43.24 97.28 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.369 -0.832 . . . . 0.0 109.304 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.22 -44.0 97.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.261 -0.899 . . . . 0.0 108.883 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.594 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -62.49 -34.17 76.32 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.02 -41.6 92.56 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.412 -0.805 . . . . 0.0 108.958 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.2 -41.05 97.99 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . 0.659 HG23 HG23 ' A' ' 125' ' ' ILE . 83.9 mt -61.41 -38.27 79.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -58.22 -40.85 82.74 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.527 ' HA ' HD12 ' A' ' 156' ' ' ILE . 75.4 t80 -58.51 -43.52 89.17 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . 0.66 ' SG ' ' CZ ' ' A' ' 101' ' ' TYR . 23.6 m -63.66 -50.38 69.49 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -61.65 -34.47 75.77 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.498 -0.751 . . . . 0.0 109.193 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 153' ' ' TYR . 13.3 mt -57.74 -47.93 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.308 -0.87 . . . . 0.0 109.804 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.647 ' CE2' HD13 ' A' ' 108' ' ' LEU . 82.5 t80 -62.99 -40.69 98.51 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.191 -1.041 . . . . 0.0 108.191 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.48 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 32.7 tp -59.6 -41.3 90.03 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.553 -0.717 . . . . 0.0 109.218 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.2 m -62.57 -38.05 88.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -0.862 . . . . 0.0 109.365 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -61.22 -40.34 93.64 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.19 -0.944 . . . . 0.0 109.074 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.638 HD23 ' HE2' ' A' ' 118' ' ' LYS . 10.7 mp -65.42 -35.51 81.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.285 -0.885 . . . . 0.0 109.115 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.85 -36.96 82.75 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.295 -0.878 . . . . 0.0 109.071 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -81.44 -12.65 58.84 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.247 -0.908 . . . . 0.0 109.056 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.23 -2.59 71.57 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -94.74 141.5 28.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.195 -1.179 . . . . 0.0 109.738 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 39.7 mm . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.562 -0.711 . . . . 0.0 109.425 179.63 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.43 -40.11 95.51 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.341 -0.849 . . . . 0.0 109.101 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -60.67 -42.72 97.64 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.343 -0.848 . . . . 0.0 109.292 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 195' ' ' LEU . . . . . 0.77 HD11 HD22 ' A' ' 53' ' ' LEU . 39.9 tp -60.35 -40.07 89.39 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.245 -0.909 . . . . 0.0 109.231 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.65 -40.21 96.31 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.872 . . . . 0.0 109.103 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -64.96 -34.99 79.73 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.2 -0.938 . . . . 0.0 108.987 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . 0.587 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 67.2 ttt-85 -60.48 -43.1 97.34 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.308 -0.87 . . . . 0.0 108.881 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 199' ' ' LEU . . . . . 0.472 HD22 HG21 ' A' ' 32' ' ' VAL . 1.7 tp -61.41 -41.43 97.14 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.269 -0.894 . . . . 0.0 108.708 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 200' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' B' ' 204' ' ' GLY . 94.1 mtt-85 -58.32 -37.29 74.81 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.339 -0.851 . . . . 0.0 108.756 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.99 82.25 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 202' ' ' LEU . . . . . 0.552 HD22 HG21 ' A' ' 56' ' ' ILE . 11.6 tp -59.06 -40.21 84.46 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 203' ' ' ARG . . . . . 0.491 ' HD3' HD22 ' A' ' 29' ' ' LEU . 72.8 mtm180 -88.16 -7.59 56.66 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.376 -0.827 . . . . 0.0 109.371 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 204' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' B' ' 200' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 117.98 -1.455 . . . . 0.0 109.536 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.8 mtp . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.352 0.596 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.65 ' HB1' ' CE ' ' A' ' 45' ' ' MET . . . -59.79 -37.05 78.02 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.094 -1.004 . . . . 0.0 109.173 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -63.29 -39.89 95.84 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.197 -0.939 . . . . 0.0 109.076 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -58.06 -42.53 85.67 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.861 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.4 -39.25 93.49 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.8 -46.7 84.27 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.275 -0.89 . . . . 0.0 109.491 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.464 ' O ' HG23 ' A' ' 11' ' ' THR . 9.3 tpt180 -60.69 -40.81 93.59 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.069 -1.02 . . . . 0.0 109.064 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.606 ' CG1' HD13 ' A' ' 27' ' ' LEU . 37.6 t -60.97 -38.78 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 121.33 -0.856 . . . . 0.0 108.924 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.38 -38.01 79.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 121.313 -0.867 . . . . 0.0 108.837 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.22 94.92 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.271 -0.972 . . . . 0.0 108.532 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 7' ' ' ARG . 4.3 p -67.54 -35.78 79.73 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.87 91.62 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.457 -0.777 . . . . 0.0 109.048 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -62.83 -42.08 99.59 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.304 -0.872 . . . . 0.0 108.987 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -61.01 -41.49 96.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.231 -0.918 . . . . 0.0 109.383 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.98 -41.09 99.46 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.351 -0.843 . . . . 0.0 109.521 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -58.65 -39.4 80.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.162 -0.961 . . . . 0.0 108.794 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.27 -30.63 70.58 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.471 -0.768 . . . . 0.0 109.09 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -83.66 -13.7 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.507 -0.746 . . . . 0.0 109.562 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.53 22.53 36.73 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.1 mt -95.66 54.44 1.55 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.251 -1.146 . . . . 0.0 108.906 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.11 -30.17 57.16 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.7 mm -58.45 -50.75 77.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.017 -1.284 . . . . 0.0 109.776 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.1 mm -65.24 -43.6 95.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.199 -0.938 . . . . 0.0 109.125 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.27 -40.83 96.38 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.703 ' CE2' HD11 ' A' ' 29' ' ' LEU . 63.2 t80 -61.72 -48.95 78.41 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.144 -1.209 . . . . 0.0 110.517 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.666 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 74.9 t80 -68.63 -44.48 74.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.911 -1.118 . . . . 0.0 110.809 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.724 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -68.57 -36.55 78.92 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.121 -0.987 . . . . 0.0 110.337 -178.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.445 ' O ' HG13 ' A' ' 32' ' ' VAL . 85.1 mm-40 -63.24 -41.3 99.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.563 -1.336 . . . . 0.0 109.035 179.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.703 HD11 ' CE2' ' A' ' 25' ' ' TYR . 82.5 mt -60.58 -41.49 94.78 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.17 -0.956 . . . . 0.0 108.607 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.518 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 72.7 t80 -65.52 -36.73 84.69 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.34 -0.85 . . . . 0.0 109.416 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.62 87.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.27 -0.894 . . . . 0.0 109.894 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.481 HG21 HD22 ' B' ' 199' ' ' LEU . 0.7 OUTLIER -67.31 -39.75 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.887 -1.133 . . . . 0.0 108.815 179.487 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.419 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 86.4 tt0 -61.27 -35.37 77.11 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.913 -1.117 . . . . 0.0 108.316 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.861 HD23 ' HB2' ' A' ' 5' ' ' ALA . 25.2 tp -64.53 -41.54 96.3 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.483 -0.76 . . . . 0.0 109.502 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.19 -47.68 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.31 -0.869 . . . . 0.0 110.159 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.3 mp -63.24 -36.58 84.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.249 -0.907 . . . . 0.0 109.439 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.9 p -73.35 -21.4 60.55 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.575 ' OE2' ' NE ' ' A' ' 41' ' ' ARG . 84.4 tt0 -74.99 150.89 38.86 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.173 0.511 . . . . 0.0 109.724 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.21 150.2 14.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.345 -0.847 . . . . 0.0 109.252 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -58.49 135.51 57.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.32 -0.862 . . . . 0.0 110.391 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.575 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 68.8 mtt180 -122.67 170.8 9.67 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 57.0 p -57.38 168.76 0.72 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.249 -0.907 . . . . 0.0 109.941 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -56.45 -30.09 62.44 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.532 -0.73 . . . . 0.0 110.785 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -54.04 -40.33 67.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.785 -1.197 . . . . 0.0 109.306 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.65 ' CE ' ' HB1' ' A' ' 2' ' ' ALA . 7.8 tpt -65.33 -39.27 92.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.225 -0.922 . . . . 0.0 108.861 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.1 p -66.53 -34.77 78.65 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.458 -0.776 . . . . 0.0 109.142 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.16 99.02 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.275 -0.89 . . . . 0.0 108.702 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.71 -37.42 87.29 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.403 -0.811 . . . . 0.0 109.163 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.76 -41.72 96.02 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 108.94 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.1 m -62.4 -40.01 95.11 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.309 -0.869 . . . . 0.0 109.351 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.3 -41.82 97.62 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.249 -0.907 . . . . 0.0 109.514 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.23 -39.59 93.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.117 -0.989 . . . . 0.0 109.333 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.638 HD22 HD11 ' B' ' 195' ' ' LEU . 40.4 tp -60.02 -40.98 91.17 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.194 -0.941 . . . . 0.0 109.009 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -61.75 -39.22 90.81 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.387 -0.821 . . . . 0.0 108.988 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.0 m -60.11 -41.65 93.03 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.585 -0.697 . . . . 0.0 109.924 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.1 mt -59.02 -52.93 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.16 -0.963 . . . . 0.0 109.269 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.418 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.8 mt-10 -63.77 -36.85 85.24 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.91 -33.38 74.59 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.542 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.62 -52.99 63.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.309 -0.87 . . . . 0.0 108.804 179.661 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.647 ' NZ ' HG21 ' A' ' 83' ' ' ILE . 27.3 mttt -58.66 -40.01 82.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.065 -1.022 . . . . 0.0 108.836 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -82.67 -1.45 51.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.473 -0.767 . . . . 0.0 110.156 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.1 tt0 -48.4 -35.18 12.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.107 -0.995 . . . . 0.0 110.126 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.717 HD12 ' SD ' ' A' ' 79' ' ' MET . 77.4 mt -68.56 -36.11 73.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 120.942 -1.099 . . . . 0.0 109.744 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.81 -5.41 24.36 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.63 -2.06 79.73 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -65.46 -46.72 78.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.112 -1.228 . . . . 0.0 108.654 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.1 t -68.03 -31.43 71.1 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.512 0.672 . . . . 0.0 109.213 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' ALA . 97.0 mt-10 -61.61 -29.05 69.79 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.588 -0.695 . . . . 0.0 109.94 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -44.84 -38.23 4.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.964 -1.085 . . . . 0.0 109.545 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -111.61 135.31 52.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.349 -0.844 . . . . 0.0 109.07 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 51.62 48.33 23.08 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.088 -1.007 . . . . 0.0 108.943 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.7 p -57.54 -33.93 68.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.223 -0.923 . . . . 0.0 110.133 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.44 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 90.4 m-20 -62.18 -43.98 97.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.161 -0.962 . . . . 0.0 109.933 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -66.01 -40.63 91.28 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.212 -0.93 . . . . 0.0 110.19 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.4 m -60.7 -45.6 93.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.112 -0.992 . . . . 0.0 109.99 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.88 -36.39 80.17 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.24 -0.912 . . . . 0.0 109.513 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.44 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 64.1 m170 -58.88 -45.22 90.72 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.369 -0.832 . . . . 0.0 110.004 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 64.6 t -66.59 -48.98 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.15 -0.969 . . . . 0.0 109.91 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.717 ' SD ' HD12 ' A' ' 63' ' ' ILE . 70.8 mtm -67.27 -46.2 74.36 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.982 -1.074 . . . . 0.0 110.248 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.431 ' C ' ' HD1' ' A' ' 84' ' ' HIS . 2.9 m120 -69.36 -42.12 75.64 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 120.992 -1.067 . . . . 0.0 110.988 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 54.1 m -69.18 -49.25 58.31 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.081 -1.012 . . . . 0.0 111.891 -178.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.6 mt -72.59 -33.91 67.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.979 -1.076 . . . . 0.0 111.379 -178.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.647 HG21 ' NZ ' ' A' ' 60' ' ' LYS . 78.8 mt -79.24 -37.0 18.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 120.991 -1.068 . . . . 0.0 111.346 -178.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.431 ' HD1' ' C ' ' A' ' 80' ' ' ASN . 77.2 m80 -87.78 -27.96 21.98 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.89 -1.131 . . . . 0.0 111.419 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -83.07 100.21 10.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.661 -1.274 . . . . 0.0 109.903 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -62.49 -41.31 98.73 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.465 -0.772 . . . . 0.0 110.811 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.47 -43.7 98.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.097 -1.002 . . . . 0.0 109.792 -179.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -61.9 -31.57 71.88 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.79 -44.26 90.51 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.42 -0.8 . . . . 0.0 110.056 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -65.17 -49.11 71.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.007 -1.058 . . . . 0.0 111.22 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 1.084 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -65.08 -38.26 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.618 -1.301 . . . . 0.0 109.014 -178.707 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 1.084 ' N ' HD13 ' A' ' 91' ' ' ILE . 44.4 t80 -61.29 -45.47 94.35 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.666 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 70.1 mtm -70.3 -41.72 72.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.361 -0.837 . . . . 0.0 109.773 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.68 -40.02 90.61 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.144 -0.973 . . . . 0.0 109.373 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -63.65 -47.06 82.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.265 -0.897 . . . . 0.0 110.158 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -67.01 -40.94 87.4 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.183 -0.948 . . . . 0.0 110.041 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -61.89 -45.04 95.46 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.001 -1.062 . . . . 0.0 109.448 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 91.0 mtp -65.81 -41.69 91.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.101 -0.999 . . . . 0.0 109.421 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.6 p -69.55 -34.31 74.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.369 -0.832 . . . . 0.0 109.512 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.9 tp -64.58 -42.63 95.48 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.151 -0.968 . . . . 0.0 109.58 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.656 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 83.1 t80 -64.97 -43.99 90.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.268 -0.895 . . . . 0.0 110.068 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -58.97 -44.7 91.58 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.225 -0.922 . . . . 0.0 109.91 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.33 -45.97 82.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.17 -0.956 . . . . 0.0 109.382 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -64.65 -36.81 85.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.24 -0.912 . . . . 0.0 109.188 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.4 tp -55.6 -48.89 74.13 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.379 -0.826 . . . . 0.0 109.042 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -61.4 -37.73 84.5 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.157 -0.964 . . . . 0.0 109.321 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.8 mt-30 -60.39 -39.89 88.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.224 -0.922 . . . . 0.0 109.653 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.619 HD13 ' CE2' ' A' ' 157' ' ' TYR . 72.0 mt -65.76 -38.38 88.94 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.953 -1.092 . . . . 0.0 109.167 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -77.59 -52.93 8.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.442 -0.787 . . . . 0.0 110.388 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -84.06 -22.92 31.07 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.383 -0.823 . . . . 0.0 110.461 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -104.82 155.78 17.12 Favored Glycine 0 N--CA 1.493 2.483 0 C-N-CA 119.909 -1.139 . . . . 0.0 110.315 -179.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -66.47 154.48 74.16 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.89 2.393 . . . . 0.0 111.895 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.725 ' HE1' ' HH ' ' A' ' 157' ' ' TYR . 18.4 m-90 -91.06 126.42 36.14 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.182 -0.949 . . . . 0.0 109.84 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.402 ' H ' HD12 ' A' ' 117' ' ' LEU . 86.4 m-20 -134.05 164.28 27.67 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.424 -0.797 . . . . 0.0 108.947 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -62.76 -32.61 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.125 -0.985 . . . . 0.0 109.207 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.432 ' HA ' ' HE ' ' A' ' 119' ' ' ARG . 69.7 mtm -60.09 -40.58 90.08 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 109.348 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.402 HD12 ' H ' ' A' ' 114' ' ' ASP . 82.3 mt -63.96 -38.47 91.2 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.303 -0.873 . . . . 0.0 109.426 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -60.27 -40.94 92.13 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.211 -0.931 . . . . 0.0 109.038 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.432 ' HE ' ' HA ' ' A' ' 116' ' ' MET . 79.7 mtm180 -62.19 -39.34 92.38 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.545 -0.722 . . . . 0.0 109.384 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 85.7 p -64.28 -36.98 85.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.375 -0.828 . . . . 0.0 109.921 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.11 -40.45 90.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.152 -0.968 . . . . 0.0 109.538 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' TRP . . . . . 0.553 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 80.5 m95 -61.81 -40.48 95.39 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.152 -0.967 . . . . 0.0 109.294 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.3 m -64.83 -42.13 95.19 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.275 -0.891 . . . . 0.0 109.589 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.5 m -60.94 -48.23 82.76 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.176 -0.953 . . . . 0.0 109.617 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.22 -36.64 69.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.028 -1.045 . . . . 0.0 108.816 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -59.97 -39.2 84.84 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.253 -0.904 . . . . 0.0 108.929 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.83 -43.63 98.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.263 -0.898 . . . . 0.0 109.287 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -67.02 -43.14 83.61 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -0.905 . . . . 0.0 109.987 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.0 m -65.7 -38.11 88.32 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.186 -0.946 . . . . 0.0 110.499 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.518 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 71.4 m -68.09 -49.66 59.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 0.0 110.7 -178.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 16.3 pt -74.03 -38.18 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 120.93 -1.106 . . . . 0.0 110.152 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.862 HD13 HD23 ' A' ' 147' ' ' LEU . 51.3 tp -60.26 -41.37 93.11 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.251 -0.906 . . . . 0.0 109.565 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -69.43 -49.3 56.39 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.312 -0.868 . . . . 0.0 110.714 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 43.7 tp -63.39 -46.84 84.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.053 -1.029 . . . . 0.0 110.825 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' TRP . . . . . 0.448 ' HA ' HD22 ' A' ' 138' ' ' ASN . 7.1 m-90 -87.87 5.36 40.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.075 -1.015 . . . . 0.0 110.458 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.59 -43.17 35.74 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.045 -1.034 . . . . 0.0 109.706 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -69.27 -21.33 63.9 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.244 -0.91 . . . . 0.0 109.362 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.448 HD22 ' HA ' ' A' ' 135' ' ' TRP . 28.2 m-80 -89.39 -5.2 57.64 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.365 -0.834 . . . . 0.0 110.527 -179.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.7 mt -112.3 146.79 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.318 -0.864 . . . . 0.0 109.764 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.7 m -77.1 154.91 32.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.449 -0.782 . . . . 0.0 109.336 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.34 -40.79 83.1 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.156 -0.965 . . . . 0.0 109.878 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 26.0 m -72.1 -42.79 65.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.818 -1.176 . . . . 0.0 109.298 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.2 m -59.23 -40.11 84.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.201 -0.937 . . . . 0.0 108.605 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.495 ' O ' ' OE1' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -66.13 -38.3 87.81 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -54.13 -45.39 71.93 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.393 -0.817 . . . . 0.0 109.543 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.3 m -64.35 -46.49 83.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.082 -1.011 . . . . 0.0 109.444 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.862 HD23 HD13 ' A' ' 132' ' ' LEU . 60.0 tp -64.91 -39.67 93.88 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.282 -0.886 . . . . 0.0 109.668 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . 0.789 ' NE2' HD21 ' A' ' 132' ' ' LEU . 0.3 OUTLIER -62.47 -38.62 90.52 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.241 -0.912 . . . . 0.0 109.31 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -64.06 -38.16 90.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.188 -0.945 . . . . 0.0 109.545 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -60.92 -41.26 95.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.158 -0.964 . . . . 0.0 109.006 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 84.3 mt -61.59 -40.97 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.465 -0.772 . . . . 0.0 109.037 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -58.87 -40.84 85.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.392 -0.818 . . . . 0.0 108.939 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' TYR . . . . . 0.433 ' HA ' HD12 ' A' ' 156' ' ' ILE . 65.7 t80 -59.05 -44.02 91.74 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.0 109.084 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' CYS . . . . . 0.656 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 78.7 m -63.9 -50.32 69.2 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.365 -0.834 . . . . 0.0 108.816 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -61.86 -34.93 76.89 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.469 -0.769 . . . . 0.0 109.199 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 153' ' ' TYR . 11.7 mt -58.08 -48.02 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.223 -0.923 . . . . 0.0 109.974 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.829 ' CE1' HD11 ' A' ' 166' ' ' ILE . 51.1 t80 -63.15 -41.07 99.2 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.553 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 32.7 tp -62.75 -42.67 99.79 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.757 -0.59 . . . . 0.0 109.761 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 20.8 m -64.46 -45.92 85.35 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.194 -0.941 . . . . 0.0 109.848 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -61.83 -42.81 99.49 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.159 -0.963 . . . . 0.0 109.04 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 27.7 tp -66.75 -35.17 79.48 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.342 -0.849 . . . . 0.0 109.035 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.86 -35.09 75.69 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.438 -0.789 . . . . 0.0 109.536 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -81.23 -8.49 59.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.195 -0.94 . . . . 0.0 108.921 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.79 -5.68 76.59 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -96.17 103.33 15.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.169 -1.195 . . . . 0.0 109.332 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' ILE . . . . . 0.829 HD11 ' CE1' ' A' ' 157' ' ' TYR . 7.0 tp . . . . . 0 C--N 1.304 -1.408 0 O-C-N 121.07 -1.019 . . . . 0.0 109.826 179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.81 -39.52 92.05 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.362 -0.836 . . . . 0.0 108.962 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -60.53 -44.24 96.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.0 109.309 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 195' ' ' LEU . . . . . 0.638 HD11 HD22 ' A' ' 53' ' ' LEU . 25.6 tp -60.83 -39.58 89.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.249 -0.907 . . . . 0.0 109.153 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.43 96.74 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.341 -0.849 . . . . 0.0 109.602 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -64.7 -36.04 83.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.11 -0.994 . . . . 0.0 109.364 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . 0.418 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 76.9 ttt180 -61.39 -42.95 99.54 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.179 -0.95 . . . . 0.0 108.906 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 199' ' ' LEU . . . . . 0.481 HD22 HG21 ' A' ' 32' ' ' VAL . 1.5 tp -63.44 -41.73 98.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.404 -0.81 . . . . 0.0 109.476 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 200' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' B' ' 204' ' ' GLY . 98.3 mtt180 -57.79 -36.54 72.32 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.269 -0.895 . . . . 0.0 109.116 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.21 88.07 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.117 -0.99 . . . . 0.0 108.432 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 7.1 tp -65.61 -38.0 88.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.387 -0.821 . . . . 0.0 108.9 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -87.53 -7.32 57.72 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.443 -0.785 . . . . 0.0 109.364 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 204' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' B' ' 200' ' ' ARG . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.0 mtm . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.837 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -59.18 -40.48 85.81 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.248 -0.908 . . . . 0.0 109.109 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -64.35 -34.85 79.11 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.143 -0.973 . . . . 0.0 108.987 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -58.96 -41.95 88.71 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.635 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.96 -39.53 94.35 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.75 -45.72 89.08 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.333 -0.855 . . . . 0.0 109.359 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -60.64 -39.13 87.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.161 -0.962 . . . . 0.0 109.011 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.574 ' CG1' HD13 ' A' ' 27' ' ' LEU . 47.4 t -61.77 -39.89 84.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.319 -0.863 . . . . 0.0 109.453 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.2 t -60.87 -41.84 90.29 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 O-C-N 121.13 -0.981 . . . . 0.0 108.485 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.56 -45.16 80.23 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.334 -0.854 . . . . 0.0 108.949 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.52 -34.4 77.83 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.332 -0.855 . . . . 0.0 108.694 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.53 -42.96 93.48 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.152 -0.968 . . . . 0.0 108.815 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -62.29 -39.7 93.82 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.404 -0.81 . . . . 0.0 109.025 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -59.07 -43.32 91.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.222 -0.923 . . . . 0.0 109.515 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -63.48 -39.89 95.66 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.286 -0.884 . . . . 0.0 109.482 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -58.57 -38.62 78.28 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.076 -1.015 . . . . 0.0 108.672 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.55 -31.36 71.39 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.463 -0.773 . . . . 0.0 109.111 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -83.78 -14.77 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.433 -0.792 . . . . 0.0 109.755 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.82 24.29 33.12 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 110.045 -1.222 . . . . 0.0 110.045 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.9 mt -95.55 54.93 1.63 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.227 -1.161 . . . . 0.0 109.385 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.96 -28.34 48.04 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.42 ' N ' HD13 ' A' ' 22' ' ' ILE . 9.7 mm -58.52 -52.24 61.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.105 -1.232 . . . . 0.0 109.685 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.2 mm -64.1 -35.84 75.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.7 -47.08 92.18 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.812 ' CE2' HD11 ' A' ' 29' ' ' LEU . 65.9 t80 -61.55 -48.44 81.0 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.034 -1.274 . . . . 0.0 110.181 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.669 ' CD2' ' SD ' ' A' ' 93' ' ' MET . 65.1 t80 -64.73 -45.41 86.64 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.241 -0.912 . . . . 0.0 110.899 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.739 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -66.76 -36.4 82.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.954 -1.091 . . . . 0.0 110.141 -178.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -61.71 -39.79 92.74 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.72 -1.238 . . . . 0.0 108.769 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.812 HD11 ' CE2' ' A' ' 25' ' ' TYR . 93.5 mt -61.02 -39.06 88.33 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -65.82 -36.21 82.85 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.209 -0.932 . . . . 0.0 109.32 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.8 92.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.362 -0.836 . . . . 0.0 110.338 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.699 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -65.72 -41.77 91.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 120.793 -1.192 . . . . 0.0 109.038 179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.68 -35.61 78.48 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.943 -1.098 . . . . 0.0 108.946 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.635 HD23 ' HB2' ' A' ' 5' ' ' ALA . 35.2 tp -64.7 -43.13 94.49 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 110.069 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.9 mt -61.56 -48.18 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.066 -1.021 . . . . 0.0 110.064 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.491 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -64.53 -35.25 80.36 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.353 -0.842 . . . . 0.0 109.327 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.9 m -83.54 -0.12 48.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.234 -0.916 . . . . 0.0 109.211 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.837 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 84.7 tt0 -89.99 149.92 22.35 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.341 -0.849 . . . . 0.0 109.787 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -57.06 151.0 15.96 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.381 -0.824 . . . . 0.0 109.566 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -58.73 131.94 52.38 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.403 -0.81 . . . . 0.0 109.9 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.577 ' NH1' ' CB ' ' A' ' 2' ' ' ALA . 68.5 mtp180 -122.07 170.02 10.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.611 -0.68 . . . . 0.0 109.628 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.7 m -58.11 170.02 0.73 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.385 -0.822 . . . . 0.0 109.847 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.13 -28.0 56.23 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.486 -0.759 . . . . 0.0 110.552 -178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.29 -40.39 48.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.782 -1.199 . . . . 0.0 109.294 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.577 ' O ' ' SD ' ' A' ' 45' ' ' MET . 7.0 tmm? -63.36 -38.22 90.31 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.227 -0.921 . . . . 0.0 109.068 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.1 p -62.07 -36.41 81.57 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.24 -0.912 . . . . 0.0 109.133 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.47 ' O ' ' OG1' ' A' ' 50' ' ' THR . . . -63.96 -43.12 96.75 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.179 -0.951 . . . . 0.0 108.734 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.13 -35.56 81.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.328 -0.858 . . . . 0.0 109.061 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.9 -38.25 90.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.301 -0.875 . . . . 0.0 109.321 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 47' ' ' ALA . 70.0 p -65.39 -43.24 91.31 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.338 -0.851 . . . . 0.0 109.339 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.75 -40.2 91.58 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.64 -39.23 87.51 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.309 -0.869 . . . . 0.0 108.793 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.693 HD22 HD11 ' B' ' 195' ' ' LEU . 36.1 tp -59.8 -40.93 90.02 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.311 -0.868 . . . . 0.0 108.733 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -59.95 -39.39 85.42 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 59' ' ' PHE . 47.2 m -60.25 -39.93 88.49 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.696 -0.627 . . . . 0.0 109.566 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.651 HG21 HD22 ' B' ' 202' ' ' LEU . 31.6 mm -59.83 -55.16 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.119 -0.988 . . . . 0.0 109.233 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -63.43 -38.08 89.77 Favored 'General case' 0 C--N 1.302 -1.473 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.588 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.03 -31.98 71.16 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 55' ' ' THR . 82.3 t80 -59.22 -54.37 47.68 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.299 -0.875 . . . . 0.0 109.55 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.406 ' NZ ' HD11 ' B' ' 202' ' ' LEU . 48.5 mttp -62.33 -41.7 98.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.034 -1.041 . . . . 0.0 109.33 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -82.73 -3.07 55.98 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.318 -0.864 . . . . 0.0 110.071 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.72 -35.33 21.59 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.205 -0.934 . . . . 0.0 109.821 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.406 HG22 ' H ' ' A' ' 65' ' ' GLY . 85.1 mt -68.66 -37.55 77.73 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 121.152 -0.968 . . . . 0.0 109.796 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.84 -5.36 12.62 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.184 -1.566 . . . . 0.0 109.184 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.406 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 91.82 -5.52 79.41 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.64 -46.6 81.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.126 -1.22 . . . . 0.0 109.765 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.6 m -64.62 -34.77 79.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.209 -0.932 . . . . 0.0 109.207 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 69' ' ' ALA . 97.1 mt-10 -62.45 -28.65 69.95 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.451 -0.781 . . . . 0.0 109.904 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -39.26 -37.33 0.41 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.389 -0.82 . . . . 0.0 109.882 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -112.08 132.57 54.76 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.402 -0.811 . . . . 0.0 109.155 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 50.94 48.61 22.71 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.127 -0.983 . . . . 0.0 108.998 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.8 p -57.31 -36.54 71.23 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.251 -0.906 . . . . 0.0 110.127 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.583 ' O ' ' ND1' ' A' ' 77' ' ' HIS . 90.3 m-20 -62.11 -43.76 98.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.1 -1.0 . . . . 0.0 109.887 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -63.79 -41.66 97.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.327 -0.858 . . . . 0.0 109.95 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.5 t -59.51 -42.74 92.89 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.957 . . . . 0.0 110.115 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 76' ' ' LEU . 86.3 mt -65.12 -40.32 94.33 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.15 -0.969 . . . . 0.0 109.824 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.583 ' ND1' ' O ' ' A' ' 73' ' ' ASP . 61.9 m80 -62.59 -45.64 91.99 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.165 -0.959 . . . . 0.0 110.198 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.06 -49.81 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.158 -0.964 . . . . 0.0 110.11 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.422 ' HE2' ' HB3' ' A' ' 79' ' ' MET . 96.9 mmm -68.3 -46.66 69.72 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.245 -0.909 . . . . 0.0 110.81 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.591 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 57.3 t-20 -68.98 -45.56 70.31 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.016 -1.053 . . . . 0.0 111.631 -178.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 54.0 m -63.92 -47.7 79.48 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.091 -1.006 . . . . 0.0 111.963 -178.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.597 HD23 ' CG ' ' A' ' 88' ' ' LYS . 19.9 mt -72.72 -34.07 66.84 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.949 -1.094 . . . . 0.0 111.563 -178.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 90.1 mt -79.32 -42.26 23.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 120.912 -1.117 . . . . 0.0 111.361 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.591 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 63.6 m80 -75.92 -42.48 48.76 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.053 -1.03 . . . . 0.0 111.367 -178.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -81.63 107.4 14.36 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.801 -1.187 . . . . 0.0 110.019 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 87' ' ' GLU . 12.4 pt20 -62.34 -40.53 96.69 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.419 -0.801 . . . . 0.0 109.938 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.452 ' N ' ' CG ' ' A' ' 86' ' ' GLN . 97.6 mt-10 -61.39 -40.96 96.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.198 -0.938 . . . . 0.0 109.392 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.597 ' CG ' HD23 ' A' ' 82' ' ' LEU . 17.3 tptm -61.88 -33.01 73.42 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.82 -44.41 81.21 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.153 -0.967 . . . . 0.0 110.086 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -63.46 -49.1 74.96 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.118 -0.989 . . . . 0.0 111.26 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.105 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -60.58 -38.24 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 120.75 -1.219 . . . . 0.0 108.822 -178.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 1.105 ' N ' HD13 ' A' ' 91' ' ' ILE . 55.5 t80 -62.2 -40.25 95.46 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.669 ' SD ' ' CD2' ' A' ' 26' ' ' TYR . 87.9 mtp -67.1 -42.41 84.62 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.493 -0.754 . . . . 0.0 110.036 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 98' ' ' MET . 90.9 mt -60.99 -37.5 82.72 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.903 -1.123 . . . . 0.0 109.147 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -64.85 -49.46 70.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.162 -0.961 . . . . 0.0 109.981 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -80.04 -49.59 11.57 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.329 -0.857 . . . . 0.0 109.484 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.601 HG22 ' CZ ' ' A' ' 128' ' ' PHE . 15.0 m -55.85 -43.42 77.03 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.399 -0.813 . . . . 0.0 109.587 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.443 ' CB ' ' O ' ' A' ' 94' ' ' LEU . 51.5 ttm -67.54 -46.3 73.19 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.002 -1.062 . . . . 0.0 109.42 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.1 p -66.2 -35.06 79.46 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.388 -0.82 . . . . 0.0 109.499 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.2 tp -63.8 -40.44 96.64 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.337 -0.852 . . . . 0.0 109.608 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.663 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 75.8 t80 -65.93 -48.34 71.73 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.311 -0.868 . . . . 0.0 110.343 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -62.0 -46.7 88.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.1 -1.0 . . . . 0.0 109.866 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.12 -36.28 83.51 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.238 -0.914 . . . . 0.0 109.129 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.532 ' CE ' ' OG ' ' A' ' 120' ' ' SER . 56.1 tttm -61.87 -41.69 98.16 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.329 -0.857 . . . . 0.0 109.326 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.602 HD11 ' CE2' ' A' ' 101' ' ' TYR . 92.7 mt -59.01 -43.46 91.54 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.121 -0.987 . . . . 0.0 108.686 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -60.36 -37.9 82.14 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.295 -0.878 . . . . 0.0 109.066 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.7 mt-30 -63.05 -39.71 95.53 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.377 -0.827 . . . . 0.0 109.577 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.924 HD13 ' CE2' ' A' ' 157' ' ' TYR . 67.6 mt -64.68 -37.91 89.2 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.116 -0.99 . . . . 0.0 109.028 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -78.11 -52.97 7.92 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.566 -0.709 . . . . 0.0 110.403 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -83.67 -22.97 31.94 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.462 -0.774 . . . . 0.0 110.439 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.594 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.46 155.25 17.95 Favored Glycine 0 N--CA 1.493 2.485 0 C-N-CA 119.881 -1.152 . . . . 0.0 110.266 -179.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.09 154.23 70.72 Favored 'Trans proline' 0 C--N 1.311 -1.426 0 C-N-CA 122.921 2.414 . . . . 0.0 112.01 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.589 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 11.7 m-90 -91.17 123.74 34.85 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.202 -0.937 . . . . 0.0 109.454 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 47.9 t0 -135.64 169.62 17.25 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.343 -0.848 . . . . 0.0 109.424 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.422 ' H ' HG13 ' A' ' 115' ' ' VAL . 3.2 m -61.01 -32.45 52.6 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.293 -0.879 . . . . 0.0 109.368 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.402 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.4 mtm -59.56 -36.71 76.72 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.272 -0.893 . . . . 0.0 109.218 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.9 mm? -64.16 -38.74 92.16 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.218 -0.926 . . . . 0.0 109.067 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.492 ' HE3' HD12 ' A' ' 161' ' ' LEU . 18.7 mttt -59.99 -43.41 95.16 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.338 -0.851 . . . . 0.0 109.23 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -61.92 -39.14 90.99 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.448 -0.783 . . . . 0.0 109.308 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.532 ' OG ' ' CE ' ' A' ' 104' ' ' LYS . 94.4 p -66.11 -35.51 80.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.394 -0.816 . . . . 0.0 109.754 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.495 HD21 ' HZ2' ' A' ' 104' ' ' LYS . 95.0 mt -63.96 -41.27 97.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 109.354 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.765 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 90.5 m95 -63.51 -41.37 98.53 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.147 -0.971 . . . . 0.0 109.188 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.7 m -67.68 -43.41 80.24 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.857 . . . . 0.0 109.893 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 88.6 m -57.25 -48.26 79.3 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.094 -1.004 . . . . 0.0 109.643 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.28 -37.88 75.41 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.357 0 O-C-N 121.21 -0.931 . . . . 0.0 109.09 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.24 -39.65 87.47 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.368 -0.833 . . . . 0.0 109.38 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.84 -44.41 96.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.214 -0.929 . . . . 0.0 109.694 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.601 ' CZ ' HG22 ' A' ' 97' ' ' THR . 76.7 m-85 -71.68 -42.43 67.46 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.256 -0.903 . . . . 0.0 109.829 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.9 p -65.7 -34.3 77.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.238 -0.914 . . . . 0.0 109.879 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.447 ' SG ' ' OH ' ' A' ' 26' ' ' TYR . 1.6 t -68.77 -49.8 55.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.113 -0.992 . . . . 0.0 109.869 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 83.9 mt -63.47 -50.09 79.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 121.232 -0.918 . . . . 0.0 109.913 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.793 HD13 HD23 ' A' ' 147' ' ' LEU . 55.7 tp -62.23 -41.11 98.12 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.358 -0.839 . . . . 0.0 110.258 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -60.42 -49.52 77.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.185 -0.947 . . . . 0.0 110.456 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.8 tp -67.79 -44.05 78.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.061 -1.024 . . . . 0.0 110.135 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -87.07 3.45 46.07 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.268 -0.895 . . . . 0.0 110.598 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.635 ' HZ3' ' CB ' ' A' ' 144' ' ' THR . 11.7 tptt -51.3 -38.29 52.06 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.057 -1.027 . . . . 0.0 109.999 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -64.65 -24.32 67.54 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 109.525 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -91.61 -3.2 56.66 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.266 -0.896 . . . . 0.0 110.571 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.2 mm -103.87 144.61 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.952 -1.092 . . . . 0.0 109.466 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 48.8 m -77.18 155.12 32.5 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.334 -0.853 . . . . 0.0 108.962 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.37 -41.92 81.08 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.055 -1.028 . . . . 0.0 109.84 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 27.1 m -71.78 -42.87 66.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.961 -1.087 . . . . 0.0 109.263 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 29.2 t -58.85 -38.91 79.79 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.148 -0.97 . . . . 0.0 108.477 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.635 ' CB ' ' HZ3' ' A' ' 136' ' ' LYS . 0.4 OUTLIER -64.74 -38.43 90.96 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -55.97 -45.55 78.88 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.508 -0.745 . . . . 0.0 109.726 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.5 m -63.22 -46.34 87.43 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.112 -0.992 . . . . 0.0 109.537 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.793 HD23 HD13 ' A' ' 132' ' ' LEU . 58.9 tp -65.16 -40.84 94.9 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.31 -0.869 . . . . 0.0 109.528 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.74 HE22 HD21 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -61.61 -38.3 87.08 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.238 -0.914 . . . . 0.0 109.388 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -62.37 -39.51 93.42 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 120.977 -1.077 . . . . 0.0 108.873 178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -59.52 -39.72 84.82 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.25 -0.906 . . . . 0.0 108.816 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 33.4 mm -61.78 -40.22 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.328 -0.858 . . . . 0.0 108.922 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 156' ' ' ILE . 22.4 tttt -57.96 -42.1 84.3 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.379 -0.825 . . . . 0.0 108.829 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.504 ' HA ' HD12 ' A' ' 156' ' ' ILE . 70.7 t80 -59.57 -44.85 93.17 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.288 -0.882 . . . . 0.0 108.928 179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . 0.663 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 36.6 m -65.36 -48.58 72.45 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -62.09 -33.98 75.44 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 153' ' ' TYR . 7.7 mt -57.78 -47.61 85.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 O-C-N 121.269 -0.894 . . . . 0.0 109.517 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.924 ' CE2' HD13 ' A' ' 108' ' ' LEU . 67.8 t80 -62.86 -39.56 94.79 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.765 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 41.2 tp -61.71 -42.28 98.73 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.627 -0.671 . . . . 0.0 109.769 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 86.2 p -66.46 -39.73 89.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.223 -0.923 . . . . 0.0 109.978 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.85 -38.65 89.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.133 -0.979 . . . . 0.0 109.226 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.492 HD12 ' HE3' ' A' ' 118' ' ' LYS . 3.4 mm? -66.5 -35.64 80.75 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.285 -0.884 . . . . 0.0 108.987 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.02 86.84 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.324 -0.86 . . . . 0.0 109.258 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -81.93 -12.34 58.45 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.293 -0.879 . . . . 0.0 109.382 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 89.02 -1.07 82.75 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -95.05 150.19 20.44 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.232 -1.158 . . . . 0.0 109.728 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 167' ' ' GLY . 37.8 mm -116.66 136.96 52.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.493 -0.754 . . . . 0.0 109.456 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 166' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 118.021 -1.433 . . . . 0.0 109.54 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.46 113.25 64.46 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.32 -0.862 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -51.15 -23.95 13.88 Favored 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 121.967 1.778 . . . . 0.0 112.065 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.76 143.57 41.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.259 -0.901 . . . . 0.0 109.5 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 70.7 mt -115.33 133.52 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.469 -0.769 . . . . 0.0 109.457 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 19.9 mttp -88.21 145.91 25.64 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.236 -0.915 . . . . 0.0 109.367 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -63.04 141.51 58.73 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.162 -0.961 . . . . 0.0 109.525 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -59.54 -33.28 71.19 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.299 -0.876 . . . . 0.0 109.532 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -101.3 160.71 14.18 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.305 -0.872 . . . . 0.0 109.603 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 185' ' ' VAL . . . . . 0.805 HG13 ' H ' ' B' ' 188' ' ' ASP . 9.0 p -128.16 146.85 33.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.508 -0.745 . . . . 0.0 109.571 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -54.26 -36.83 64.02 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.458 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 187' ' ' VAL . . . . . 0.518 ' H ' HG22 ' B' ' 185' ' ' VAL . 67.2 t -61.11 -45.89 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.985 -1.072 . . . . 0.0 109.731 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.805 ' H ' HG13 ' B' ' 185' ' ' VAL . 59.4 t0 -63.82 -35.24 79.95 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.818 -1.176 . . . . 0.0 109.375 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -58.72 -45.66 89.07 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.389 -0.819 . . . . 0.0 110.593 -179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . 0.414 ' H ' ' HG2' ' B' ' 190' ' ' GLU . 12.8 pt-20 -69.16 -44.46 72.21 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.143 -0.973 . . . . 0.0 110.386 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -58.25 -42.58 86.71 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.762 -1.211 . . . . 0.0 109.479 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.3 -36.39 83.93 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.27 -0.894 . . . . 0.0 109.26 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.71 -41.45 95.29 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.336 -0.853 . . . . 0.0 109.093 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 39.9 tttp -62.02 -44.51 96.56 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.331 -0.856 . . . . 0.0 109.124 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 195' ' ' LEU . . . . . 0.693 HD11 HD22 ' A' ' 53' ' ' LEU . 11.6 tp -61.43 -41.46 97.21 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.285 -0.885 . . . . 0.0 108.961 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.1 -35.96 82.8 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.395 -0.815 . . . . 0.0 109.39 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -64.72 -36.33 83.93 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.133 -0.979 . . . . 0.0 109.419 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -65.22 -43.48 91.34 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.096 -1.003 . . . . 0.0 109.243 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . 0.699 HD22 HG21 ' A' ' 32' ' ' VAL . 5.9 tp -63.37 -47.32 82.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.189 -0.944 . . . . 0.0 109.511 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -60.5 -37.76 82.14 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.175 -0.953 . . . . 0.0 109.022 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.01 79.48 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' LEU . . . . . 0.651 HD22 HG21 ' A' ' 56' ' ' ILE . 18.8 tp -60.36 -38.56 84.25 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . 0.594 ' NE ' HD22 ' A' ' 29' ' ' LEU . 95.5 mtt180 -87.39 -10.61 51.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.333 -0.854 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 CA-C-O 117.993 -1.448 . . . . 0.0 109.566 179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.41 ' H2 ' ' HB2' ' A' ' 4' ' ' ASN . 64.7 mtt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.59 ' HB1' ' CE ' ' A' ' 45' ' ' MET . . . -59.3 -39.04 81.78 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.145 -0.972 . . . . 0.0 109.048 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -63.55 -38.74 92.27 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.258 -0.901 . . . . 0.0 108.845 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.41 ' HB2' ' H2 ' ' A' ' 1' ' ' MET . 2.9 m120 -57.66 -39.61 77.44 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.713 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.51 -39.67 95.04 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.99 -42.83 95.08 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.395 -0.816 . . . . 0.0 109.201 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.651 ' NH1' ' NH2' ' A' ' 119' ' ' ARG . 14.5 tpp85 -60.4 -39.89 88.94 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.253 -0.904 . . . . 0.0 109.019 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.488 ' CG1' HD13 ' A' ' 27' ' ' LEU . 54.0 t -62.0 -37.94 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.336 -0.853 . . . . 0.0 109.058 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.9 t -60.65 -40.71 85.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.97 81.45 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.391 -0.818 . . . . 0.0 108.936 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -35.45 80.87 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -59.44 -42.03 90.97 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.206 -0.934 . . . . 0.0 108.538 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -60.43 -38.51 84.32 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -58.25 -41.08 83.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.373 -0.829 . . . . 0.0 109.108 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -62.03 -41.46 98.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.266 -0.896 . . . . 0.0 109.482 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -58.61 -39.16 79.63 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.129 -0.982 . . . . 0.0 109.06 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -61.51 -32.74 72.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.427 -0.796 . . . . 0.0 109.314 179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.585 HG12 HD13 ' A' ' 20' ' ' LEU . 13.0 t -84.29 -14.31 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.372 -0.83 . . . . 0.0 109.545 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.2 8.32 68.81 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.585 HD13 HG12 ' A' ' 18' ' ' VAL . 11.0 mp -97.66 54.67 1.18 Allowed 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.384 -1.068 . . . . 0.0 109.193 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.84 -22.83 35.44 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.1 mm -58.11 -48.8 83.51 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.073 -1.251 . . . . 0.0 109.831 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.428 HD11 ' CE2' ' A' ' 92' ' ' TYR . 23.1 mm -63.43 -42.57 96.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.042 -1.036 . . . . 0.0 108.947 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.54 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.63 -38.52 93.86 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.857 ' CE2' HD11 ' A' ' 29' ' ' LEU . 71.2 t80 -62.97 -47.6 82.45 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.023 -1.28 . . . . 0.0 110.641 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -59.93 -46.73 88.44 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.126 -0.984 . . . . 0.0 111.267 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.54 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.8 pp -66.71 -33.78 76.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.677 -1.264 . . . . 0.0 110.177 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.477 ' N ' HD12 ' A' ' 27' ' ' LEU . 91.2 mt-30 -60.19 -40.68 90.87 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.667 -1.271 . . . . 0.0 108.421 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.857 HD11 ' CE2' ' A' ' 25' ' ' TYR . 87.0 mt -59.95 -42.28 93.71 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.66 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 89.5 t80 -64.47 -35.69 81.76 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.616 -0.678 . . . . 0.0 109.266 178.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.94 -45.28 86.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.335 -0.853 . . . . 0.0 109.901 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.848 ' CG2' HD22 ' B' ' 199' ' ' LEU . 0.7 OUTLIER -67.08 -40.23 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 120.881 -1.137 . . . . 0.0 108.762 179.504 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 97.0 mt-10 -61.78 -35.51 78.36 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.948 -1.095 . . . . 0.0 108.6 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.713 HD23 ' HB2' ' A' ' 5' ' ' ALA . 31.9 tp -64.48 -42.0 96.14 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.426 -0.796 . . . . 0.0 109.832 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.469 HD11 HD12 ' A' ' 52' ' ' LEU . 92.4 mt -61.44 -48.49 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 121.239 -0.913 . . . . 0.0 110.088 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 36' ' ' LEU . 7.2 mp -65.19 -34.58 78.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.319 -0.863 . . . . 0.0 109.702 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.8 m -83.28 -0.21 48.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.219 -0.926 . . . . 0.0 109.354 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.58 ' OE2' ' N ' ' A' ' 2' ' ' ALA . 83.8 tt0 -96.85 150.45 20.71 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.325 -0.86 . . . . 0.0 109.701 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.7 149.45 17.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.254 -0.904 . . . . 0.0 109.526 -179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -58.93 138.82 57.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.359 -0.838 . . . . 0.0 110.272 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.537 ' HE ' ' CD ' ' A' ' 38' ' ' GLU . 94.5 mtt-85 -122.71 170.79 9.69 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 87.2 p -57.46 166.4 1.26 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.293 -0.88 . . . . 0.0 110.036 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.8 -30.97 64.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.555 -0.715 . . . . 0.0 110.904 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.455 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 55.1 mp0 -54.79 -40.09 69.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.81 -1.181 . . . . 0.0 109.629 -179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.59 ' CE ' ' HB1' ' A' ' 2' ' ' ALA . 5.2 tpt -64.68 -37.48 87.73 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.041 -1.037 . . . . 0.0 108.898 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.7 m -59.78 -40.84 89.62 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.523 -0.735 . . . . 0.0 109.383 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.91 -44.21 96.71 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.2 -0.938 . . . . 0.0 108.92 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.524 HD23 ' CE ' ' A' ' 45' ' ' MET . 34.2 tp -61.16 -39.67 90.98 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.293 -0.879 . . . . 0.0 108.973 179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.36 -38.78 90.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.366 -0.834 . . . . 0.0 109.06 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.7 m -60.76 -40.8 93.84 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.258 -0.901 . . . . 0.0 108.859 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.99 -39.52 89.97 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.368 -0.832 . . . . 0.0 109.166 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.469 HD12 HD11 ' A' ' 35' ' ' ILE . 73.5 mt -61.74 -40.66 95.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.15 -0.969 . . . . 0.0 109.14 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.0 HD21 ' HE ' ' B' ' 198' ' ' ARG . 42.3 tp -59.94 -40.34 88.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.129 -0.982 . . . . 0.0 108.662 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -60.12 -38.45 83.05 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 59' ' ' PHE . 32.4 m -60.12 -42.56 95.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.685 -0.635 . . . . 0.0 109.427 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.527 HD12 HD12 ' A' ' 53' ' ' LEU . 90.7 mt -57.87 -52.28 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.149 -0.969 . . . . 0.0 108.714 179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -62.21 -36.35 81.67 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.39 -32.88 74.54 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' THR . 77.4 t80 -58.58 -51.69 68.83 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.263 -0.898 . . . . 0.0 108.804 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.419 ' NZ ' HD11 ' B' ' 202' ' ' LEU . 98.5 mttt -61.51 -39.24 90.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.222 -0.923 . . . . 0.0 108.909 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -82.3 -1.6 50.07 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.509 -0.744 . . . . 0.0 109.66 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.6 tt0 -48.43 -33.54 9.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.311 -0.868 . . . . 0.0 110.111 -179.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.964 HD11 ' SD ' ' A' ' 79' ' ' MET . 85.9 mt -67.72 -41.04 84.94 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.015 -1.053 . . . . 0.0 109.596 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.49 -5.54 10.35 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.209 -1.557 . . . . 0.0 109.209 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.522 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 91.2 -5.24 81.27 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -66.56 -46.6 75.5 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.091 -1.241 . . . . 0.0 108.76 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.415 ' HB3' HG23 ' A' ' 63' ' ' ILE . 9.1 t -66.99 -30.88 71.11 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-O 121.521 0.677 . . . . 0.0 109.179 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.25 -28.68 69.34 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.469 -0.77 . . . . 0.0 109.886 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.97 -36.34 72.45 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.993 -1.067 . . . . 0.0 110.098 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -122.79 139.38 54.06 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.274 -0.891 . . . . 0.0 109.867 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 48.55 43.78 20.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.275 -0.891 . . . . 0.0 109.165 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -42.08 99.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.353 -0.842 . . . . 0.0 110.462 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.587 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 91.0 m-20 -60.99 -45.04 96.4 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.046 -1.034 . . . . 0.0 109.806 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -69.82 -44.42 70.01 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.302 -0.874 . . . . 0.0 110.513 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.8 m -61.64 -45.3 94.63 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.089 -1.007 . . . . 0.0 110.237 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 99.2 mt -68.3 -38.54 81.73 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.982 . . . . 0.0 110.109 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.587 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 66.6 m170 -58.07 -45.34 87.27 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.165 -0.959 . . . . 0.0 110.324 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.77 -49.55 63.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.049 -1.032 . . . . 0.0 110.217 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.964 ' SD ' HD11 ' A' ' 63' ' ' ILE . 88.8 mtp -68.07 -46.14 71.87 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.18 -0.95 . . . . 0.0 110.894 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.472 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 2.7 m120 -69.13 -44.16 72.92 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.954 -1.091 . . . . 0.0 110.908 -178.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 88.9 m -61.86 -47.44 85.01 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.036 -1.04 . . . . 0.0 111.394 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.1 mt -73.47 -34.66 65.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.904 -1.122 . . . . 0.0 110.985 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.7 mt -80.33 -42.77 21.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 O-C-N 120.99 -1.069 . . . . 0.0 111.405 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 74.8 m80 -71.35 -47.99 53.01 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.021 -1.049 . . . . 0.0 111.14 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -79.47 111.18 15.47 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.908 -1.12 . . . . 0.0 110.119 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -61.79 -36.48 81.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.442 -0.786 . . . . 0.0 109.848 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.524 ' OE2' ' CH2' ' A' ' 135' ' ' TRP . 76.7 mm-40 -59.66 -41.21 90.08 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.2 -0.937 . . . . 0.0 109.624 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -62.53 -34.46 76.97 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.173 -0.954 . . . . 0.0 108.651 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.2 -41.94 69.64 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.271 -0.893 . . . . 0.0 109.467 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -62.42 -48.38 79.94 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.184 -0.947 . . . . 0.0 109.764 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.814 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -70.19 -45.09 77.09 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 O-C-N 121.304 -0.873 . . . . 0.0 109.29 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.814 ' N ' HD12 ' A' ' 91' ' ' ILE . 57.8 t80 -61.61 -46.02 91.62 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.1 -1.0 . . . . 0.0 108.483 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.8 mmm -65.56 -40.62 93.02 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.308 -0.87 . . . . 0.0 109.216 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.2 tp -63.93 -41.56 97.6 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.356 -0.84 . . . . 0.0 109.705 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -62.15 -43.69 98.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.353 -0.842 . . . . 0.0 109.821 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.645 ' CE2' HD11 ' A' ' 100' ' ' LEU . 65.9 t80 -64.16 -44.83 90.89 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.296 -0.878 . . . . 0.0 109.641 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 45.8 p -61.53 -41.87 97.98 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.284 -0.885 . . . . 0.0 109.877 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.1 ttm -59.63 -40.28 87.12 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.255 -0.903 . . . . 0.0 109.003 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 m -61.76 -40.65 95.89 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.454 -0.778 . . . . 0.0 109.295 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.645 HD11 ' CE2' ' A' ' 96' ' ' PHE . 78.2 mt -65.49 -38.51 89.96 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.246 -0.909 . . . . 0.0 109.579 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.813 ' CE2' HD11 ' A' ' 105' ' ' LEU . 82.5 t80 -58.87 -48.07 82.68 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.168 -0.958 . . . . 0.0 110.111 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -65.21 -44.73 87.4 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.075 -1.016 . . . . 0.0 110.46 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.37 -41.97 98.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.233 -0.917 . . . . 0.0 110.611 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -63.22 -42.11 99.22 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.039 -1.038 . . . . 0.0 110.24 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.813 HD11 ' CE2' ' A' ' 101' ' ' TYR . 93.2 mt -57.14 -46.48 82.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.973 -1.079 . . . . 0.0 109.227 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -60.94 -40.11 92.06 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.111 -0.993 . . . . 0.0 109.618 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.593 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.0 mt-30 -64.28 -39.08 93.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.239 -0.913 . . . . 0.0 110.05 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.432 HD13 ' CE2' ' A' ' 157' ' ' TYR . 91.4 mt -64.22 -37.46 87.56 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.86 -1.15 . . . . 0.0 109.816 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -77.07 -53.57 7.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.277 -0.889 . . . . 0.0 110.874 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -98.65 -22.8 15.74 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.222 -0.924 . . . . 0.0 110.87 -178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -90.04 152.13 22.06 Favored Glycine 0 N--CA 1.492 2.405 0 C-N-CA 119.581 -1.295 . . . . 0.0 110.324 -178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -71.22 154.47 61.71 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.809 2.339 . . . . 0.0 111.999 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.558 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 15.8 m-90 -89.66 124.09 34.28 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.159 -0.963 . . . . 0.0 109.476 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.0 m-20 -134.62 165.12 25.97 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.29 -0.881 . . . . 0.0 109.587 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.413 ' H ' HG13 ' A' ' 115' ' ' VAL . 2.9 m -64.03 -31.3 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.375 -0.828 . . . . 0.0 109.237 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 70.0 mtm -58.87 -37.82 77.41 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.393 -0.817 . . . . 0.0 109.516 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.2 -38.62 89.86 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.112 -0.993 . . . . 0.0 109.042 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -61.41 -40.86 95.95 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.311 -0.868 . . . . 0.0 109.075 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.651 ' NH2' ' NH1' ' A' ' 7' ' ' ARG . 41.5 mtp180 -61.69 -39.69 92.33 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.427 -0.795 . . . . 0.0 109.432 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 83.4 p -64.49 -35.23 80.28 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.313 -0.867 . . . . 0.0 109.522 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.415 HD12 HD13 ' A' ' 158' ' ' LEU . 96.3 mt -65.93 -41.61 91.12 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.307 -0.87 . . . . 0.0 109.504 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -60.98 -41.77 97.05 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.081 -1.012 . . . . 0.0 109.196 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.7 m -68.65 -44.02 75.0 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.237 -0.915 . . . . 0.0 109.684 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 79.2 m -59.93 -47.24 86.58 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.216 -0.928 . . . . 0.0 109.87 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.0 mt -60.57 -37.37 74.99 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 O-C-N 121.149 -0.969 . . . . 0.0 109.229 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.55 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.2 m-20 -61.09 -40.75 94.9 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.349 -0.844 . . . . 0.0 109.585 179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.71 -42.0 99.43 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.201 -0.937 . . . . 0.0 109.478 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -72.18 -43.18 64.95 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.299 -0.875 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.0 p -69.36 -37.62 77.72 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.186 -0.946 . . . . 0.0 110.233 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.66 ' SG ' ' CD1' ' A' ' 30' ' ' TYR . 76.0 m -68.87 -50.35 50.53 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.051 -1.031 . . . . 0.0 110.026 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 79.9 mt -69.05 -48.75 67.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.37 0 O-C-N 121.221 -0.924 . . . . 0.0 109.799 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.667 HD21 HE22 ' A' ' 148' ' ' GLN . 43.3 tp -60.67 -41.24 94.68 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.378 -0.826 . . . . 0.0 110.005 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -60.33 -49.14 78.77 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.213 -0.93 . . . . 0.0 110.148 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.7 tp -63.73 -43.16 97.32 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.079 -1.013 . . . . 0.0 109.808 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.524 ' CH2' ' OE2' ' A' ' 87' ' ' GLU . 97.3 m95 -86.87 -3.1 59.03 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.252 -0.905 . . . . 0.0 110.307 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.4 OUTLIER -51.97 -34.86 44.22 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.109 -0.994 . . . . 0.0 110.217 -179.247 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.19 -27.11 68.74 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.065 -1.022 . . . . 0.0 109.083 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -90.83 -0.97 57.87 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.376 -0.827 . . . . 0.0 110.132 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.7 mm -104.12 142.71 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.172 -0.955 . . . . 0.0 109.56 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 54.4 p -77.8 155.42 31.12 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.27 -0.893 . . . . 0.0 108.867 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -54.4 -44.34 72.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.104 -0.997 . . . . 0.0 109.789 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 30.0 m -70.24 -43.12 71.23 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.97 -1.081 . . . . 0.0 109.388 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 50.1 m -58.74 -38.27 78.03 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.13 -0.981 . . . . 0.0 108.506 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.73 -38.61 91.58 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -55.74 -42.72 75.8 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.439 -0.788 . . . . 0.0 109.459 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 86.0 p -65.16 -45.46 84.85 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.283 -0.886 . . . . 0.0 109.462 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 49.9 mt -67.07 -41.42 86.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.221 -0.925 . . . . 0.0 108.935 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.667 HE22 HD21 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -64.62 -34.89 79.34 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.016 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -58.85 -44.8 91.09 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.395 -0.816 . . . . 0.0 108.844 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -60.21 -41.46 93.06 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.173 -0.954 . . . . 0.0 108.663 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 148' ' ' GLN . 88.1 mt -60.7 -41.84 89.78 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 O-C-N 121.531 -0.731 . . . . 0.0 109.034 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -59.14 -38.04 78.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.344 -0.848 . . . . 0.0 109.256 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.39 -43.83 98.2 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.151 -0.968 . . . . 0.0 109.385 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 74.7 m -66.43 -50.98 61.58 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.137 -0.977 . . . . 0.0 109.108 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -64.38 -37.21 86.7 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.359 -0.838 . . . . 0.0 109.63 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 12.2 mt -58.3 -47.5 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.236 -0.915 . . . . 0.0 110.091 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.558 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 69.1 t80 -62.84 -40.63 98.03 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.415 HD13 HD12 ' A' ' 121' ' ' LEU . 47.5 tp -59.96 -41.16 91.3 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.717 -0.615 . . . . 0.0 109.634 179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.3 t -63.27 -42.31 99.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.231 -0.918 . . . . 0.0 109.98 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -61.4 -39.59 91.3 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.121 -0.987 . . . . 0.0 109.487 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.5 HD11 ' CE2' ' A' ' 157' ' ' TYR . 9.6 mp -66.26 -35.66 80.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.077 -1.014 . . . . 0.0 109.148 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.42 81.85 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.276 -0.89 . . . . 0.0 109.097 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -81.42 -12.59 58.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.282 -0.886 . . . . 0.0 109.114 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.56 -2.29 70.18 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -94.81 140.63 29.64 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.266 -1.138 . . . . 0.0 109.646 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 37.8 mm -116.52 134.37 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.495 -0.753 . . . . 0.0 109.39 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 CA-C-O 117.961 -1.466 . . . . 0.0 109.549 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 18.1 m120 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 177' ' ' VAL . . . . . 0.474 ' H ' HG22 ' B' ' 177' ' ' VAL . 0.4 OUTLIER -67.95 154.45 93.69 Favored Pre-proline 0 N--CA 1.489 1.524 0 O-C-N 121.326 -0.859 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -44.43 142.33 4.57 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.334 2.023 . . . . 0.0 112.197 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -59.19 145.61 42.04 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.28 -0.888 . . . . 0.0 109.478 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 84.9 mt -55.17 -38.37 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.158 -0.964 . . . . 0.0 109.215 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -57.88 -26.56 62.29 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.325 -0.86 . . . . 0.0 109.5 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -55.22 -25.0 30.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.34 -0.85 . . . . 0.0 109.782 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -56.59 -32.2 65.01 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.107 -0.996 . . . . 0.0 109.241 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.82 -25.67 68.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.38 -0.825 . . . . 0.0 109.589 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 55.6 t -51.7 -43.44 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.164 -0.96 . . . . 0.0 109.902 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -117.72 150.7 38.65 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.365 -0.834 . . . . 0.0 109.402 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 75.9 t -75.27 -41.7 43.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.534 -0.729 . . . . 0.0 109.877 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -59.28 -36.41 75.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.009 -1.057 . . . . 0.0 110.399 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -58.36 -46.34 86.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.092 -1.005 . . . . 0.0 110.826 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.38 -43.64 73.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.096 -1.002 . . . . 0.0 110.436 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -58.85 -42.13 88.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.726 -1.234 . . . . 0.0 109.746 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.79 -37.73 88.6 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.159 -0.963 . . . . 0.0 109.247 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.39 -41.13 93.18 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.246 -0.909 . . . . 0.0 108.943 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 50.1 mttm -62.55 -40.03 95.5 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.316 -0.865 . . . . 0.0 109.267 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 195' ' ' LEU . . . . . 0.44 ' CD1' HD22 ' A' ' 53' ' ' LEU . 39.4 tp -60.11 -39.52 86.47 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.381 -0.824 . . . . 0.0 109.374 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.86 89.64 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.187 -0.946 . . . . 0.0 109.138 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.15 -35.35 80.82 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.285 -0.885 . . . . 0.0 109.199 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . 1.0 ' HE ' HD21 ' A' ' 53' ' ' LEU . 68.0 mtp85 -62.28 -41.8 98.8 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.875 . . . . 0.0 109.341 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . 0.848 HD22 ' CG2' ' A' ' 32' ' ' VAL . 35.8 tp -62.93 -45.18 93.72 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.205 -0.934 . . . . 0.0 109.129 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -64.59 -39.7 94.19 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.506 -0.746 . . . . 0.0 109.555 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -68.22 -42.16 80.2 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.231 -0.918 . . . . 0.0 109.239 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 202' ' ' LEU . . . . . 0.491 ' CD2' HG21 ' A' ' 56' ' ' ILE . 17.7 tp -62.32 -37.51 85.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.284 -0.885 . . . . 0.0 109.228 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -87.85 -7.91 56.58 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.334 -0.854 . . . . 0.0 109.516 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 CA-C-O 117.942 -1.477 . . . . 0.0 109.571 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.42 88.85 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.163 -0.961 . . . . 0.0 109.078 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -63.6 -37.41 87.21 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.237 -0.915 . . . . 0.0 109.024 179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -56.24 -42.65 77.67 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.782 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.9 -39.98 95.44 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.57 97.41 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.341 -0.849 . . . . 0.0 109.202 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.575 ' O ' HG23 ' A' ' 11' ' ' THR . 10.7 tpt180 -60.33 -38.2 83.01 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.191 -0.943 . . . . 0.0 109.066 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.69 -39.8 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.343 -0.848 . . . . 0.0 109.053 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.48 -38.87 81.1 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 C-N-CA 119.573 -0.851 . . . . 0.0 109.119 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.76 -45.21 95.2 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 119.202 -0.999 . . . . 0.0 108.562 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 7' ' ' ARG . 3.7 p -68.18 -34.18 75.81 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.67 -43.51 89.89 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.386 -0.821 . . . . 0.0 108.875 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -62.58 -43.35 99.03 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -61.24 -40.48 94.22 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.353 -0.842 . . . . 0.0 109.126 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.7 -41.25 97.34 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.337 -0.852 . . . . 0.0 109.031 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.486 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 21.5 t70 -58.83 -38.38 78.54 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.355 -0.841 . . . . 0.0 108.828 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -59.87 -30.36 68.93 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.406 -0.809 . . . . 0.0 108.826 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 18' ' ' VAL . 58.9 t -83.85 -9.27 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.438 -0.789 . . . . 0.0 109.491 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.54 16.56 56.71 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.674 -1.37 . . . . 0.0 109.674 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.551 HD13 ' CZ ' ' A' ' 96' ' ' PHE . 67.4 mt -95.85 44.95 1.08 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.306 -1.114 . . . . 0.0 109.151 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.34 -34.66 54.44 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.021 -1.231 . . . . 0.0 110.021 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 mm -59.77 -48.72 86.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.026 -1.279 . . . . 0.0 109.394 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.7 mm -63.61 -43.36 98.16 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.307 -0.87 . . . . 0.0 108.895 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.565 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.9 -38.43 94.08 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.751 -1.339 . . . . 0.0 109.751 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.846 ' CE2' HD11 ' A' ' 29' ' ' LEU . 71.2 t80 -63.21 -47.54 82.09 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.043 -1.269 . . . . 0.0 110.713 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CD1' ' SD ' ' A' ' 93' ' ' MET . 44.6 t80 -60.84 -46.07 92.01 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.119 -0.988 . . . . 0.0 111.111 -178.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.565 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.9 pp -66.32 -34.06 77.14 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.665 -1.272 . . . . 0.0 110.131 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.494 ' N ' HD12 ' A' ' 27' ' ' LEU . 92.3 mt-30 -59.93 -39.99 87.38 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.69 -1.256 . . . . 0.0 108.071 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.846 HD11 ' CE2' ' A' ' 25' ' ' TYR . 87.6 mt -61.83 -38.15 87.1 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.486 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 85.6 t80 -66.89 -35.76 80.74 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.452 -0.78 . . . . 0.0 109.235 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.69 92.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.315 -0.865 . . . . 0.0 110.211 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.428 HG21 HD22 ' B' ' 199' ' ' LEU . 1.9 p -65.75 -42.4 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.841 -1.162 . . . . 0.0 108.915 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.67 -34.83 76.42 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.894 -1.129 . . . . 0.0 108.823 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.782 HD23 ' HB2' ' A' ' 5' ' ' ALA . 24.2 tp -64.56 -45.1 88.5 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.305 -0.872 . . . . 0.0 109.977 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 86.5 mt -60.59 -46.47 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 O-C-N 121.102 -0.999 . . . . 0.0 110.356 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.1 mp -62.95 -32.52 73.86 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.361 -0.837 . . . . 0.0 109.855 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.9 m -71.25 -26.37 62.87 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.153 -0.967 . . . . 0.0 109.699 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -67.81 149.94 49.25 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.166 -0.959 . . . . 0.0 110.037 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.06 151.81 14.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.405 -0.81 . . . . 0.0 108.997 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -56.45 137.16 53.51 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.174 -0.954 . . . . 0.0 109.506 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -122.38 170.23 10.16 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.408 0.623 . . . . 0.0 109.8 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.7 p -58.24 171.23 0.59 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.387 -0.821 . . . . 0.0 109.896 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.35 -27.3 55.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.545 -0.722 . . . . 0.0 110.774 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.09 -41.61 48.57 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.898 -1.126 . . . . 0.0 109.252 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.566 ' O ' ' SD ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -63.57 -37.62 87.99 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.212 -0.93 . . . . 0.0 108.649 179.024 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.0 m -59.38 -40.14 85.59 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.38 -0.825 . . . . 0.0 109.103 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.48 -43.57 98.49 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.3 -0.875 . . . . 0.0 108.648 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.76 -36.28 83.37 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.352 -0.842 . . . . 0.0 109.048 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.57 97.23 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.301 -0.874 . . . . 0.0 108.857 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.2 m -61.11 -42.85 99.28 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.32 -0.863 . . . . 0.0 108.962 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.4 -40.06 95.28 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.255 -0.903 . . . . 0.0 108.979 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.1 tp -59.14 -41.62 88.73 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.21 -0.931 . . . . 0.0 109.216 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.728 HD22 HD11 ' B' ' 195' ' ' LEU . 37.2 tp -60.59 -40.72 92.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.28 -0.888 . . . . 0.0 108.753 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -60.25 -39.68 87.6 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.46 -0.775 . . . . 0.0 108.932 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.1 m -60.38 -42.3 95.56 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.633 -0.667 . . . . 0.0 109.7 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.62 -52.58 58.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.104 -0.998 . . . . 0.0 109.024 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.63 -36.64 84.48 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.596 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.62 -33.47 75.73 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -59.35 -54.2 49.49 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.252 -0.905 . . . . 0.0 109.313 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -62.28 -42.84 99.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.171 -0.955 . . . . 0.0 109.388 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -82.97 -2.35 54.93 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.371 -0.83 . . . . 0.0 110.132 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.596 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.39 -35.49 19.11 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.115 -0.99 . . . . 0.0 110.008 -179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.633 HD11 ' SD ' ' A' ' 79' ' ' MET . 86.4 mt -68.74 -40.18 81.16 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.106 -0.996 . . . . 0.0 109.663 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.24 -5.9 83.09 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.105 -1.598 . . . . 0.0 109.105 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.68 -1.68 85.63 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.958 -1.257 . . . . 0.0 109.958 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.69 -46.97 80.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.033 -1.275 . . . . 0.0 109.748 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.3 m -67.57 -33.19 74.52 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.236 -0.915 . . . . 0.0 108.997 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.617 ' OE2' HD21 ' A' ' 76' ' ' LEU . 96.9 mt-10 -61.21 -28.73 69.36 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.565 -0.709 . . . . 0.0 109.933 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -37.15 -35.0 0.09 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.497 -0.752 . . . . 0.0 109.953 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 68' ' ' GLU . 77.8 mm-40 -116.0 132.19 56.72 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.395 -0.815 . . . . 0.0 109.11 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 51.87 47.74 24.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.099 -1.0 . . . . 0.0 109.197 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.5 p -58.84 -35.3 72.7 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.247 -0.908 . . . . 0.0 110.183 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.481 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 91.1 m-20 -62.15 -43.84 97.93 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.087 -1.008 . . . . 0.0 110.166 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -65.84 -42.72 90.17 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.221 -0.924 . . . . 0.0 110.556 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -61.4 -45.4 94.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.044 -1.035 . . . . 0.0 109.948 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.617 HD21 ' OE2' ' A' ' 68' ' ' GLU . 86.4 mt -68.15 -36.91 80.42 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.225 -0.922 . . . . 0.0 109.684 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 67.0 m170 -59.01 -45.2 91.28 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.22 -0.925 . . . . 0.0 110.266 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.0 t -67.98 -50.31 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.138 -0.976 . . . . 0.0 110.143 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.633 ' SD ' HD11 ' A' ' 63' ' ' ILE . 88.5 mtp -68.45 -46.74 69.0 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.096 -1.003 . . . . 0.0 110.387 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.583 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 54.2 t-20 -65.55 -42.49 91.82 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.173 -0.954 . . . . 0.0 110.825 -178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.565 HG22 ' HD2' ' A' ' 88' ' ' LYS . 55.1 m -70.77 -49.26 48.63 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.147 -0.97 . . . . 0.0 111.86 -178.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 84.2 mt -72.02 -34.14 68.6 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.875 -1.141 . . . . 0.0 111.436 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.518 HG23 ' CG ' ' A' ' 25' ' ' TYR . 89.9 mt -77.71 -35.5 21.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 120.905 -1.122 . . . . 0.0 111.008 -178.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.583 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 79.9 m80 -90.8 -28.32 18.29 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.981 -1.075 . . . . 0.0 111.116 -178.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.419 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 62.2 t0 -88.38 104.52 16.85 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.762 -1.211 . . . . 0.0 109.92 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -62.28 -35.09 77.93 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.259 -0.901 . . . . 0.0 110.423 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -59.24 -47.37 85.59 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.982 -1.074 . . . . 0.0 109.187 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.565 ' HD2' HG22 ' A' ' 81' ' ' THR . 49.6 mttp -70.91 -33.74 70.85 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.325 -0.86 . . . . 0.0 109.031 178.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.33 -45.5 69.32 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.375 -0.828 . . . . 0.0 109.845 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.6 ' HG3' HG23 ' A' ' 131' ' ' ILE . 15.4 ttpt -62.69 -49.06 76.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.181 -0.949 . . . . 0.0 109.801 -179.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.804 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -68.56 -45.41 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.266 -0.896 . . . . 0.0 109.198 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.804 ' N ' HD12 ' A' ' 91' ' ' ILE . 62.5 t80 -62.35 -45.32 93.71 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.194 -0.941 . . . . 0.0 108.629 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CD1' ' A' ' 26' ' ' TYR . 63.8 ttp -70.06 -40.88 74.8 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.472 -0.767 . . . . 0.0 109.633 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.4 tp -61.9 -41.79 98.32 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.058 -1.026 . . . . 0.0 109.609 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -62.61 -47.99 81.38 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.164 -0.96 . . . . 0.0 109.485 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.551 ' CZ ' HD13 ' A' ' 20' ' ' LEU . 65.7 t80 -69.71 -46.05 66.86 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.33 -0.856 . . . . 0.0 109.313 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.635 HG23 HD23 ' A' ' 127' ' ' LEU . 28.5 m -58.04 -42.58 85.69 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.452 -0.78 . . . . 0.0 109.553 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.9 ttm -62.89 -41.67 99.5 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.239 -0.913 . . . . 0.0 109.2 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.1 m -64.53 -37.93 89.24 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.387 -0.821 . . . . 0.0 109.677 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.9 tp -62.27 -41.45 98.48 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.25 -0.906 . . . . 0.0 109.823 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.606 ' CZ ' ' SG ' ' A' ' 154' ' ' CYS . 76.8 t80 -65.44 -46.47 79.76 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.341 -0.849 . . . . 0.0 110.146 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -61.3 -45.72 93.31 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.155 -0.965 . . . . 0.0 109.908 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.41 -44.8 86.31 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.215 -0.928 . . . . 0.0 109.024 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.663 ' NZ ' ' SG ' ' A' ' 124' ' ' CYS . 36.1 ttmt -63.27 -37.99 89.43 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.36 -0.837 . . . . 0.0 108.784 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 33.2 tp -55.91 -44.77 78.6 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -62.61 -38.04 88.63 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.246 -0.909 . . . . 0.0 108.784 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.6 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.7 mm-40 -60.28 -38.6 84.09 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.399 -0.813 . . . . 0.0 109.303 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.732 HD13 ' CE2' ' A' ' 157' ' ' TYR . 62.6 mt -64.81 -37.82 88.9 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.927 -1.108 . . . . 0.0 109.023 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -75.96 -52.8 9.49 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.392 -0.818 . . . . 0.0 110.844 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -92.76 -22.67 19.22 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.28 -0.888 . . . . 0.0 110.719 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -94.1 155.27 21.84 Favored Glycine 0 N--CA 1.493 2.478 0 C-N-CA 119.576 -1.297 . . . . 0.0 110.09 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -66.72 151.21 83.02 Favored 'Trans proline' 0 C--N 1.309 -1.546 0 C-N-CA 122.915 2.41 . . . . 0.0 111.941 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.868 ' HE1' ' HH ' ' A' ' 157' ' ' TYR . 20.2 m-90 -96.54 123.84 40.33 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.239 -0.913 . . . . 0.0 109.674 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 89.3 m-20 -135.03 171.86 13.83 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.421 -0.799 . . . . 0.0 109.33 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -63.75 -32.49 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.244 -0.91 . . . . 0.0 109.522 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.41 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 70.2 mtm -59.88 -38.27 81.73 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.294 -0.879 . . . . 0.0 109.385 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.5 mm? -65.35 -38.51 90.31 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.166 -0.958 . . . . 0.0 109.104 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -58.78 -42.95 90.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.237 -0.914 . . . . 0.0 109.148 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -63.12 -39.99 96.31 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.325 -0.859 . . . . 0.0 109.522 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.541 ' HB2' ' HZ3' ' A' ' 104' ' ' LYS . 78.6 p -65.1 -35.31 80.72 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.276 -0.89 . . . . 0.0 109.618 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 121' ' ' LEU . 96.1 mt -65.85 -41.23 91.94 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.295 -0.878 . . . . 0.0 109.649 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.645 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 84.5 m95 -63.02 -40.96 99.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.074 -1.017 . . . . 0.0 109.613 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 74.4 m -69.23 -43.79 73.32 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.219 -0.926 . . . . 0.0 110.128 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.663 ' SG ' ' NZ ' ' A' ' 104' ' ' LYS . 67.5 m -65.13 -49.95 67.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.186 -0.946 . . . . 0.0 110.223 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.433 HG23 HG23 ' A' ' 151' ' ' ILE . 95.9 mt -60.77 -44.08 96.66 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.085 -1.01 . . . . 0.0 109.681 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.427 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.2 m-20 -60.69 -38.59 85.46 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.221 -0.924 . . . . 0.0 109.388 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.635 HD23 HG23 ' A' ' 97' ' ' THR . 38.8 tp -61.28 -42.53 98.81 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.406 -0.809 . . . . 0.0 109.584 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -66.18 -43.47 86.74 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.234 -0.916 . . . . 0.0 109.031 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 23.0 t -61.56 -36.77 81.55 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.343 -0.848 . . . . 0.0 109.246 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.486 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 73.3 m -60.97 -43.77 98.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.303 -0.873 . . . . 0.0 109.235 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.6 HG23 ' HG3' ' A' ' 90' ' ' LYS . 92.5 mt -59.39 -50.41 79.96 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 O-C-N 121.255 -0.903 . . . . 0.0 110.008 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.698 HD23 HE22 ' A' ' 148' ' ' GLN . 8.8 mp -67.45 -37.08 82.43 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.358 -0.838 . . . . 0.0 110.209 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -59.21 -50.16 75.09 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.192 -0.943 . . . . 0.0 110.525 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 15.8 tp -69.56 -43.98 71.81 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.063 -1.023 . . . . 0.0 109.702 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.42 ' HA ' HD22 ' A' ' 138' ' ' ASN . 96.8 m95 -87.06 4.57 41.51 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.409 -0.807 . . . . 0.0 110.04 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.9 OUTLIER -49.61 -39.91 37.2 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.238 -0.914 . . . . 0.0 109.627 -179.562 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.64 -26.14 66.92 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.16 -0.962 . . . . 0.0 110.149 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.42 HD22 ' HA ' ' A' ' 135' ' ' TRP . 55.1 m-80 -89.12 -4.98 58.12 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.032 -1.043 . . . . 0.0 110.639 -179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.6 mt -112.87 145.62 18.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.215 -0.928 . . . . 0.0 109.531 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 54.8 p -77.81 154.98 31.37 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.337 -0.852 . . . . 0.0 109.37 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -58.25 -39.8 80.11 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.282 -0.886 . . . . 0.0 109.881 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.0 m -70.57 -45.35 65.58 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.852 -1.155 . . . . 0.0 109.759 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 19.6 m -63.35 -47.68 81.1 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.174 -0.953 . . . . 0.0 109.461 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.426 HG21 ' NZ ' ' A' ' 136' ' ' LYS . 0.6 OUTLIER -61.89 -38.73 89.44 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.27 -0.894 . . . . 0.0 108.714 179.563 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . 0.479 ' C ' HD22 ' A' ' 145' ' ' ASN . 0.2 OUTLIER -55.57 -43.62 76.08 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.307 -0.871 . . . . 0.0 109.293 179.73 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.2 m -60.95 -46.69 89.7 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.22 -0.925 . . . . 0.0 109.297 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' ' 147' ' ' LEU . 6.6 mp -61.77 -38.52 88.35 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.698 HE22 HD23 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -61.66 -36.58 81.22 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.364 -0.835 . . . . 0.0 108.813 179.172 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -60.79 -39.9 90.6 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.23 -0.919 . . . . 0.0 109.068 179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -60.92 -40.51 93.45 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.016 -1.052 . . . . 0.0 108.267 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.433 HG23 HG23 ' A' ' 125' ' ' ILE . 88.9 mt -62.01 -37.83 79.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.439 ' O ' HD12 ' A' ' 156' ' ' ILE . 26.3 mmtt -57.67 -41.07 80.79 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -58.3 -41.89 85.43 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . 0.606 ' SG ' ' CZ ' ' A' ' 101' ' ' TYR . 55.8 m -65.49 -50.38 65.53 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.446 -0.784 . . . . 0.0 109.165 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -62.65 -37.65 87.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.252 -0.905 . . . . 0.0 109.55 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.439 HD12 ' O ' ' A' ' 152' ' ' LYS . 1.9 mt -58.97 -46.46 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.272 -0.892 . . . . 0.0 109.367 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.868 ' HH ' ' HE1' ' A' ' 113' ' ' TRP . 61.0 t80 -62.59 -40.06 95.69 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.883 -1.155 . . . . 0.0 107.883 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.645 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 18.4 tp -59.81 -40.9 89.97 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 121.622 -0.674 . . . . 0.0 109.347 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.0 t -60.91 -41.13 95.52 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.305 -0.872 . . . . 0.0 109.39 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -61.22 -39.88 91.91 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.178 -0.951 . . . . 0.0 108.853 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 72.8 mt -64.78 -34.58 78.68 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.242 -0.911 . . . . 0.0 108.968 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.11 -36.57 84.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.422 -0.799 . . . . 0.0 109.537 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -81.22 -12.52 59.12 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.116 -0.99 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 87.67 -5.26 85.24 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -96.07 120.56 36.57 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.142 -1.21 . . . . 0.0 109.038 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.747 HD11 ' CE1' ' A' ' 157' ' ' TYR . 9.7 tp -150.83 147.28 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 120.973 -1.079 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.988 0 CA-C-O 117.943 -1.476 . . . . 0.0 109.697 179.374 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 50.1 t30 . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.285 0.564 . . . . 0.0 109.481 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 177' ' ' VAL . . . . . 0.428 ' H ' HG22 ' B' ' 177' ' ' VAL . 0.6 OUTLIER -67.98 154.35 93.88 Favored Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.218 -0.926 . . . . 0.0 109.27 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -46.47 -23.84 2.39 Favored 'Trans proline' 0 C--N 1.31 -1.476 0 C-N-CA 122.272 1.981 . . . . 0.0 111.974 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -98.62 140.94 32.09 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.269 -0.894 . . . . 0.0 109.66 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 71.9 mt -114.01 136.64 49.87 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.529 -0.732 . . . . 0.0 109.346 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 28.5 mttp -83.31 140.38 32.5 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.169 -0.957 . . . . 0.0 109.422 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -148.84 155.0 40.29 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.21 -0.931 . . . . 0.0 109.538 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 73.1 mttt 56.68 42.0 27.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.441 -0.787 . . . . 0.0 109.467 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -142.06 -36.32 0.42 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.272 -0.892 . . . . 0.0 109.476 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 185' ' ' VAL . . . . . 0.5 ' O ' ' OD1' ' B' ' 188' ' ' ASP . 54.2 t -60.92 -43.03 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.211 -0.931 . . . . 0.0 109.689 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -59.89 -32.59 70.88 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.31 -0.869 . . . . 0.0 110.075 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 61.4 t -58.46 -40.92 80.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.084 -1.01 . . . . 0.0 109.898 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.657 ' OD1' ' N ' ' B' ' 189' ' ' ASP . 37.6 p30 -64.12 -26.66 68.64 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.81 -1.181 . . . . 0.0 109.548 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 189' ' ' ASP . . . . . 0.657 ' N ' ' OD1' ' B' ' 188' ' ' ASP . 40.2 t0 -60.27 -47.73 84.77 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.027 -1.045 . . . . 0.0 109.784 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -69.69 -43.02 73.32 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.331 -0.855 . . . . 0.0 110.012 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -58.81 -43.5 90.59 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.887 -1.133 . . . . 0.0 109.698 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.86 -37.0 85.01 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.158 -0.964 . . . . 0.0 109.449 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.76 -41.6 95.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.246 -0.909 . . . . 0.0 109.114 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -62.34 -43.63 98.38 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.343 -0.848 . . . . 0.0 109.243 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 195' ' ' LEU . . . . . 0.728 HD11 HD22 ' A' ' 53' ' ' LEU . 35.8 tp -61.28 -41.09 96.36 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.336 -0.852 . . . . 0.0 109.451 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.06 88.24 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.243 -0.911 . . . . 0.0 109.312 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -65.27 -35.33 80.7 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.207 -0.933 . . . . 0.0 109.196 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -60.21 -43.6 95.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.311 -0.868 . . . . 0.0 109.258 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . 0.428 HD22 HG21 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -63.85 -41.15 97.87 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.214 -0.929 . . . . 0.0 109.407 179.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -59.08 -38.55 79.73 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.282 -0.886 . . . . 0.0 109.268 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.95 -38.39 88.48 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.255 -0.903 . . . . 0.0 108.917 179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.53 -38.8 85.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.39 -0.819 . . . . 0.0 109.273 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -87.66 -8.88 55.59 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.375 -0.828 . . . . 0.0 109.408 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.207 0 CA-C-O 118.045 -1.42 . . . . 0.0 109.587 179.843 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.44 ' C ' ' OE2' ' A' ' 38' ' ' GLU . 64.9 mtt . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.334 0.588 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.561 ' N ' ' OE2' ' A' ' 38' ' ' GLU . . . -58.82 -38.44 78.66 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.126 -0.984 . . . . 0.0 109.176 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.2 p -63.91 -37.97 89.34 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.114 -0.991 . . . . 0.0 109.305 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -59.36 -42.06 90.72 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 1.027 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -65.33 -39.66 92.68 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.68 -45.19 95.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.419 -0.801 . . . . 0.0 109.567 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.646 ' NH2' ' SG ' ' A' ' 123' ' ' CYS . 0.1 OUTLIER -60.38 -39.91 88.96 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.229 -0.92 . . . . 0.0 108.719 179.776 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.577 ' CG1' HD13 ' A' ' 27' ' ' LEU . 54.9 t -63.57 -38.43 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.477 -0.764 . . . . 0.0 109.625 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.71 -40.26 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.131 -0.98 . . . . 0.0 108.688 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.23 -42.92 87.97 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.337 -0.852 . . . . 0.0 109.054 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.77 -33.76 75.46 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.214 -0.929 . . . . 0.0 108.734 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.61 95.39 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.218 -0.926 . . . . 0.0 108.793 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -61.7 -39.91 93.14 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -59.06 -41.36 87.74 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.426 -0.796 . . . . 0.0 109.303 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.98 -40.04 96.55 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.344 -0.848 . . . . 0.0 109.557 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -58.34 -39.54 79.74 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.084 -1.01 . . . . 0.0 108.562 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -61.88 -29.66 70.35 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.494 -0.754 . . . . 0.0 109.02 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -84.01 -11.04 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.483 -0.761 . . . . 0.0 109.541 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.68 14.95 58.97 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.919 -1.273 . . . . 0.0 109.919 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 3.9 mm? -95.44 54.62 1.62 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.215 -1.167 . . . . 0.0 108.975 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.98 -30.65 66.94 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.5 mm -58.44 -48.85 84.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 O-C-N 121.117 -1.225 . . . . 0.0 109.803 -179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.0 mm -63.3 -42.16 95.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 O-C-N 121.23 -0.919 . . . . 0.0 108.868 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.23 -42.67 97.36 Favored Glycine 0 N--CA 1.487 2.036 0 N-CA-C 109.866 -1.294 . . . . 0.0 109.866 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.686 ' CE2' HD11 ' A' ' 29' ' ' LEU . 69.2 t80 -60.85 -48.45 81.75 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.945 -1.327 . . . . 0.0 110.596 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 48.2 t80 -67.25 -45.21 77.35 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.956 -1.09 . . . . 0.0 110.551 -179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.717 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -68.79 -36.47 78.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.975 -1.078 . . . . 0.0 110.408 -178.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.457 ' NE2' HG22 ' A' ' 55' ' ' THR . 90.7 mt-30 -61.76 -40.48 95.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.684 -1.26 . . . . 0.0 108.797 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.686 HD11 ' CE2' ' A' ' 25' ' ' TYR . 79.8 mt -62.01 -39.01 90.81 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -66.44 -35.89 81.42 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.179 -0.95 . . . . 0.0 109.167 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.6 93.48 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.363 -0.835 . . . . 0.0 110.263 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.589 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -65.66 -41.91 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.824 -1.172 . . . . 0.0 109.017 179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.45 -34.87 76.15 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.969 -1.082 . . . . 0.0 108.775 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.027 HD23 ' HB2' ' A' ' 5' ' ' ALA . 29.4 tp -64.33 -45.4 88.01 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.309 -0.869 . . . . 0.0 109.948 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.479 ' CG2' ' SD ' ' A' ' 45' ' ' MET . 82.5 mt -61.31 -44.65 98.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.243 -0.91 . . . . 0.0 110.467 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.405 ' N ' ' CD1' ' A' ' 36' ' ' LEU . 6.3 mp -62.65 -32.68 73.77 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.365 -0.834 . . . . 0.0 110.061 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.1 p -71.54 -25.71 62.34 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.01 -1.057 . . . . 0.0 109.748 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.561 ' OE2' ' N ' ' A' ' 2' ' ' ALA . 98.8 mt-10 -69.17 149.97 48.03 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.289 -0.882 . . . . 0.0 110.296 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.19 151.53 15.44 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -57.03 135.95 56.31 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.104 -0.998 . . . . 0.0 109.637 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -122.36 170.97 9.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.735 -0.603 . . . . 0.0 109.53 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.9 t -56.82 171.85 0.3 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.298 -0.876 . . . . 0.0 109.813 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -55.99 -28.09 55.69 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.515 -0.74 . . . . 0.0 110.88 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.49 -44.44 55.88 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.689 -1.257 . . . . 0.0 109.198 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.576 ' O ' ' SD ' ' A' ' 45' ' ' MET . 7.4 tmm? -66.01 -38.06 87.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.18 -0.95 . . . . 0.0 108.751 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 29.9 m -59.43 -40.12 85.75 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.318 -0.864 . . . . 0.0 109.128 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.85 99.68 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.319 -0.863 . . . . 0.0 108.875 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 48' ' ' LEU . 83.1 mt -63.17 -36.92 85.25 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.368 -0.832 . . . . 0.0 109.242 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.52 97.66 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.266 -0.896 . . . . 0.0 109.125 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 m -61.87 -41.48 97.91 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.284 -0.885 . . . . 0.0 109.451 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.95 -42.48 99.83 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.24 -0.913 . . . . 0.0 109.492 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 52' ' ' LEU . 29.6 tp -59.61 -41.87 91.34 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.189 -0.944 . . . . 0.0 109.22 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.593 HD22 HD11 ' B' ' 195' ' ' LEU . 34.8 tp -61.69 -38.45 87.86 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.29 -0.881 . . . . 0.0 108.941 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -59.39 -40.66 87.27 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.457 HG22 ' NE2' ' A' ' 28' ' ' GLN . 45.6 m -60.57 -42.9 97.6 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.551 -0.718 . . . . 0.0 109.293 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.7 mt -62.36 -53.09 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.296 -0.877 . . . . 0.0 109.453 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -61.73 -38.88 89.55 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.216 -0.927 . . . . 0.0 108.529 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.592 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.87 -30.96 68.54 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.469 -0.769 . . . . 0.0 108.996 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -58.9 -54.41 47.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.243 -0.911 . . . . 0.0 109.538 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -63.02 -41.67 99.6 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.007 -1.058 . . . . 0.0 109.455 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -82.53 -2.79 54.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.319 -0.863 . . . . 0.0 109.9 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.6 tt0 -49.75 -35.27 21.73 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.241 -0.912 . . . . 0.0 109.75 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.406 HG13 ' H ' ' A' ' 65' ' ' GLY . 0.6 OUTLIER -77.64 -40.84 28.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.173 -0.954 . . . . 0.0 109.829 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.76 2.61 51.88 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.406 ' H ' HG13 ' A' ' 63' ' ' ILE . . . 95.97 -8.25 67.71 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.364 -1.494 . . . . 0.0 109.364 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -68.01 -45.47 73.94 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.272 -1.134 . . . . 0.0 109.65 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.2 t -61.37 -31.39 71.28 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.365 -0.834 . . . . 0.0 109.338 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.26 -31.72 67.69 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.288 -0.882 . . . . 0.0 109.167 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 70' ' ' GLU . . . -55.86 149.51 14.75 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.064 -1.022 . . . . 0.0 109.323 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 69' ' ' ALA . 66.3 mm-40 59.0 115.18 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.45 -0.781 . . . . 0.0 109.899 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 53.08 47.33 24.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.224 -0.922 . . . . 0.0 109.587 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.4 p -60.41 -35.42 75.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.18 -0.95 . . . . 0.0 110.175 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.06 -44.11 97.88 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.938 -1.101 . . . . 0.0 110.054 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -69.11 -43.94 73.44 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.19 -0.944 . . . . 0.0 110.765 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.8 p -64.15 -42.28 96.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.088 -1.007 . . . . 0.0 110.117 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 76' ' ' LEU . 95.3 mt -68.24 -37.67 81.03 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.298 -0.876 . . . . 0.0 109.84 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -61.02 -45.69 93.78 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.311 -0.868 . . . . 0.0 110.142 -179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.0 t -68.99 -49.56 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.053 -1.029 . . . . 0.0 110.063 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.496 ' O ' HD12 ' A' ' 83' ' ' ILE . 98.6 mmm -67.78 -46.49 71.84 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.162 -0.961 . . . . 0.0 110.36 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.597 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 58.3 t-20 -69.35 -46.39 67.11 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.167 -0.958 . . . . 0.0 111.634 -178.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 37.2 m -65.61 -49.07 70.09 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.037 -1.039 . . . . 0.0 112.071 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 57.6 mt -70.82 -34.04 71.3 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.912 -1.117 . . . . 0.0 111.347 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 79' ' ' MET . 84.4 mt -79.26 -42.32 23.38 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 120.839 -1.163 . . . . 0.0 111.332 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.597 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 66.9 m80 -74.75 -47.93 28.47 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.11 -0.994 . . . . 0.0 111.57 -178.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -83.0 112.41 19.74 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.837 -1.164 . . . . 0.0 110.237 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.84 -37.51 84.72 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.5 -0.75 . . . . 0.0 110.304 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.36 -41.49 93.79 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.144 -0.973 . . . . 0.0 109.647 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -62.82 -32.15 73.29 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.246 -0.909 . . . . 0.0 108.702 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.08 -44.87 64.85 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.368 -0.832 . . . . 0.0 110.077 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -63.42 -48.81 76.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.003 -1.061 . . . . 0.0 110.511 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.694 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -62.4 -41.16 90.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.018 -1.051 . . . . 0.0 108.596 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.694 ' N ' HD12 ' A' ' 91' ' ' ILE . 67.4 t80 -62.77 -45.6 91.91 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 79.6 mtp -68.0 -40.7 83.0 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.378 -0.826 . . . . 0.0 109.792 179.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 94' ' ' LEU . 34.2 tp -60.41 -40.39 90.79 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.148 -0.97 . . . . 0.0 108.771 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -62.31 -43.36 99.0 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.411 -0.806 . . . . 0.0 109.245 179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.56 ' HE2' HD22 ' A' ' 100' ' ' LEU . 64.3 t80 -64.13 -42.73 96.7 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.503 -0.748 . . . . 0.0 109.595 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 24.1 p -61.4 -41.88 97.84 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.254 -0.904 . . . . 0.0 109.824 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 95.8 mmm -62.99 -42.59 99.88 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.19 -0.944 . . . . 0.0 109.457 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.9 p -75.31 -38.7 60.13 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.248 -0.908 . . . . 0.0 109.462 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.56 HD22 ' HE2' ' A' ' 96' ' ' PHE . 29.3 tp -69.01 -43.57 74.53 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.313 -0.867 . . . . 0.0 109.761 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.687 ' CE2' HD11 ' A' ' 105' ' ' LEU . 76.7 t80 -63.21 -45.43 91.73 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.304 -0.872 . . . . 0.0 109.962 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -59.79 -41.83 92.04 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.249 -0.907 . . . . 0.0 109.716 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -61.67 -41.23 97.26 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 109.674 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.582 ' NZ ' ' O ' ' A' ' 120' ' ' SER . 25.8 mttt -61.59 -41.23 97.13 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.113 -0.992 . . . . 0.0 109.933 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.687 HD11 ' CE2' ' A' ' 101' ' ' TYR . 82.4 mt -59.32 -43.2 92.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.054 -1.029 . . . . 0.0 109.089 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -63.16 -38.6 91.8 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.277 -0.89 . . . . 0.0 109.469 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.0 mt-30 -62.22 -40.01 94.7 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.916 . . . . 0.0 109.979 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.505 HD13 ' CE2' ' A' ' 157' ' ' TYR . 68.2 mt -65.67 -38.43 89.29 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.021 -1.05 . . . . 0.0 109.304 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -78.16 -52.98 7.88 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.871 . . . . 0.0 110.21 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -83.57 -23.05 32.14 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.39 -0.819 . . . . 0.0 110.503 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -105.51 155.39 16.93 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 110.209 -1.156 . . . . 0.0 110.209 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -67.78 154.12 73.95 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.868 2.379 . . . . 0.0 111.93 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.579 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 23.8 m-90 -89.83 117.31 28.57 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.264 -0.897 . . . . 0.0 109.565 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 88.1 m-20 -135.08 170.08 16.45 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.327 -0.858 . . . . 0.0 109.367 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.7 m -64.15 -32.09 55.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.223 -0.923 . . . . 0.0 109.526 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.9 mtm -59.52 -38.33 80.71 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.303 -0.873 . . . . 0.0 109.575 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.564 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.5 mm? -65.25 -37.92 88.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.168 -0.957 . . . . 0.0 108.957 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -59.87 -42.05 92.87 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.341 -0.849 . . . . 0.0 109.271 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -63.07 -42.28 99.63 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.306 -0.871 . . . . 0.0 109.368 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.582 ' O ' ' NZ ' ' A' ' 104' ' ' LYS . 22.6 m -62.89 -39.85 95.76 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.369 -0.832 . . . . 0.0 109.469 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.434 HD23 HD13 ' A' ' 158' ' ' LEU . 23.6 tp -61.81 -42.23 98.76 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.396 -0.815 . . . . 0.0 109.398 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -60.49 -38.26 83.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.162 -0.961 . . . . 0.0 109.165 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.646 ' SG ' ' NH2' ' A' ' 7' ' ' ARG . 74.0 m -61.8 -44.28 97.18 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.254 -0.904 . . . . 0.0 109.367 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -47.81 82.79 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.211 -0.93 . . . . 0.0 109.499 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.7 mt -60.08 -36.81 69.93 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.148 -0.97 . . . . 0.0 108.711 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.75 -40.63 88.77 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.306 -0.871 . . . . 0.0 109.269 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.541 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 83.5 mt -62.14 -41.6 98.42 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.221 -0.924 . . . . 0.0 109.138 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -68.82 -42.6 77.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.306 -0.871 . . . . 0.0 109.905 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.3 t -61.85 -42.97 99.69 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.241 -0.912 . . . . 0.0 110.487 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.541 ' SG ' ' O ' ' A' ' 127' ' ' LEU . 29.3 p -68.75 -49.65 57.01 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.038 -1.039 . . . . 0.0 110.487 -179.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.515 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 85.5 mt -63.41 -50.48 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.336 0 O-C-N 120.962 -1.086 . . . . 0.0 110.393 -179.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.568 ' O ' ' N ' ' A' ' 136' ' ' LYS . 90.9 mt -64.68 -38.82 92.3 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.273 -0.892 . . . . 0.0 110.342 -179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -59.4 -49.52 77.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.115 -0.991 . . . . 0.0 110.177 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 37.4 tp -66.0 -42.78 89.29 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.079 -1.013 . . . . 0.0 109.618 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -87.03 0.08 55.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.394 -0.816 . . . . 0.0 110.344 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.568 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.0 OUTLIER -52.73 -36.56 57.78 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.061 -1.024 . . . . 0.0 110.078 -179.297 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -62.45 -25.69 68.11 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.183 -0.948 . . . . 0.0 109.247 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -89.62 -3.66 58.17 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.306 -0.871 . . . . 0.0 109.964 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.7 mm -105.38 141.19 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.218 -0.926 . . . . 0.0 109.376 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 48.9 m -77.33 155.23 32.13 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -54.62 -43.24 72.08 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.961 -1.087 . . . . 0.0 109.404 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 29.8 m -70.76 -43.29 69.12 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.941 -1.099 . . . . 0.0 108.714 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 44.0 m -59.08 -37.84 78.07 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.433 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -62.71 -39.0 92.64 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -57.67 -41.63 81.94 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.499 -0.75 . . . . 0.0 109.226 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 18.8 t -61.91 -50.92 70.26 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.37 -0.831 . . . . 0.0 109.537 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 51.9 mt -64.79 -43.51 92.96 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.232 -0.917 . . . . 0.0 108.812 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.596 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -64.94 -33.32 75.75 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.094 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -60.18 -45.21 93.9 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.261 -0.9 . . . . 0.0 109.22 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -61.48 -42.6 99.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.135 -0.978 . . . . 0.0 108.619 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.454 HD12 ' HA ' ' A' ' 148' ' ' GLN . 89.5 mt -61.2 -39.76 83.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -57.93 -40.05 79.52 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.582 ' HA ' HD12 ' A' ' 156' ' ' ILE . 74.8 t80 -58.4 -43.24 88.48 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . 0.587 ' HG ' ' HH ' ' A' ' 101' ' ' TYR . 7.2 m -62.09 -50.51 71.64 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -62.48 -33.94 75.86 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.333 -0.855 . . . . 0.0 109.442 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 153' ' ' TYR . 17.2 mt -58.03 -49.11 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 O-C-N 121.17 -0.956 . . . . 0.0 110.179 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.579 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 61.8 t80 -63.92 -40.14 95.79 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.05 -1.031 . . . . 0.0 108.306 179.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.434 HD13 HD23 ' A' ' 121' ' ' LEU . 35.9 tp -59.15 -41.47 88.44 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.675 -0.641 . . . . 0.0 109.543 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 85.6 p -64.35 -38.02 89.57 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.136 -0.978 . . . . 0.0 109.211 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.505 ' HZ1' ' HA3' ' A' ' 167' ' ' GLY . 51.3 mtmt -62.59 -39.23 93.08 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.148 -0.97 . . . . 0.0 109.207 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.424 HD21 ' CE2' ' A' ' 157' ' ' TYR . 57.0 mt -63.74 -36.9 85.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.079 -1.013 . . . . 0.0 108.741 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.4 -37.18 84.78 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.351 -0.843 . . . . 0.0 109.154 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -81.87 -10.51 59.28 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.26 -0.9 . . . . 0.0 109.375 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 90.38 2.58 73.3 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -94.61 140.73 29.48 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.299 -1.118 . . . . 0.0 109.717 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.415 HG23 ' OH ' ' A' ' 157' ' ' TYR . 35.3 mm -115.78 134.75 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.41 -0.806 . . . . 0.0 109.438 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . 0.505 ' HA3' ' HZ1' ' A' ' 160' ' ' LYS . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 177' ' ' VAL . . . . . 0.428 HG22 ' H ' ' B' ' 177' ' ' VAL . 0.2 OUTLIER -67.88 153.88 94.51 Favored Pre-proline 0 N--CA 1.489 1.506 0 O-C-N 121.292 -0.88 . . . . 0.0 109.436 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -58.65 -21.43 55.56 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.658 2.239 . . . . 0.0 112.14 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -96.9 141.01 30.61 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.363 -0.835 . . . . 0.0 109.425 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 74.9 mt -113.34 134.12 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.413 -0.805 . . . . 0.0 109.441 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -88.31 148.68 24.17 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.342 -0.849 . . . . 0.0 109.515 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -61.21 -31.33 71.1 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.279 -0.888 . . . . 0.0 109.451 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -73.72 131.78 41.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.297 -0.877 . . . . 0.0 109.421 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -105.27 139.85 39.3 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.389 -0.819 . . . . 0.0 109.547 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 43.8 t -117.46 136.24 55.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.427 -0.795 . . . . 0.0 109.495 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -110.16 160.0 16.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.485 -0.76 . . . . 0.0 109.51 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 76.1 t -60.36 -39.47 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.273 -0.892 . . . . 0.0 109.392 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -59.07 -33.73 71.14 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.937 -1.102 . . . . 0.0 109.372 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -58.02 -47.99 81.41 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.344 -0.848 . . . . 0.0 110.563 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . 0.433 ' HG2' ' H ' ' B' ' 190' ' ' GLU . 10.8 pt-20 -67.91 -39.49 83.58 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.111 -0.993 . . . . 0.0 109.913 -179.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -57.89 -41.62 82.96 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.838 -1.164 . . . . 0.0 109.18 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.95 -38.59 91.45 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.233 -0.917 . . . . 0.0 109.005 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.49 -40.67 92.18 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.346 -0.846 . . . . 0.0 108.962 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -61.67 -40.09 93.71 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.407 -0.808 . . . . 0.0 109.194 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 195' ' ' LEU . . . . . 0.593 HD11 HD22 ' A' ' 53' ' ' LEU . 24.6 tp -59.43 -42.51 92.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.259 -0.9 . . . . 0.0 109.092 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.97 -39.29 90.24 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.259 -0.901 . . . . 0.0 109.173 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 197' ' ' GLN . . . . . 0.458 ' HA ' ' HE ' ' B' ' 200' ' ' ARG . 49.8 tt0 -65.23 -35.83 82.26 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.202 -0.936 . . . . 0.0 109.275 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 -62.53 -43.03 99.81 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.25 -0.906 . . . . 0.0 109.272 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . 0.589 HD22 HG21 ' A' ' 32' ' ' VAL . 4.1 tp -63.33 -45.09 92.89 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.287 -0.883 . . . . 0.0 109.602 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 200' ' ' ARG . . . . . 0.458 ' HE ' ' HA ' ' B' ' 197' ' ' GLN . 78.9 mtm180 -60.05 -37.22 79.19 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.144 -0.973 . . . . 0.0 109.022 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.71 -35.23 80.17 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 23.6 tp -60.49 -39.18 86.76 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.431 -0.793 . . . . 0.0 108.975 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -87.48 -9.78 53.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.364 -0.835 . . . . 0.0 109.287 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 CA-C-O 117.975 -1.458 . . . . 0.0 109.522 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.375 0.607 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.818 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -59.56 -36.97 77.22 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.149 -0.97 . . . . 0.0 109.071 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -63.37 -39.84 95.62 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.209 -0.932 . . . . 0.0 109.186 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -58.16 -44.18 87.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.102 -0.999 . . . . 0.0 108.419 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.69 93.32 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.93 -39.57 92.5 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.452 -0.78 . . . . 0.0 109.106 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.417 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.33 -42.63 96.05 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.497 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 56.1 t -64.23 -39.11 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.335 -0.853 . . . . 0.0 109.439 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.85 -39.55 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.248 -0.908 . . . . 0.0 108.692 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.8 -39.87 91.34 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.388 -0.82 . . . . 0.0 108.919 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -71.23 -34.05 70.44 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.385 -0.822 . . . . 0.0 108.869 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.561 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -59.04 -46.89 87.08 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.226 -0.921 . . . . 0.0 108.933 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -62.46 -40.46 96.71 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -60.11 -38.73 83.87 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.492 -0.755 . . . . 0.0 109.048 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -61.11 -44.59 97.12 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.431 -0.793 . . . . 0.0 109.356 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -58.94 -38.93 80.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.204 -0.935 . . . . 0.0 109.071 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -60.51 -29.72 69.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.473 -0.767 . . . . 0.0 109.418 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 18' ' ' VAL . 63.8 t -83.67 -8.81 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.311 -0.868 . . . . 0.0 109.697 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.39 16.91 56.45 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.435 HD13 ' CE1' ' A' ' 96' ' ' PHE . 68.7 mt -95.58 50.2 1.22 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.273 -1.133 . . . . 0.0 109.026 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.94 -34.66 57.89 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.7 mm -61.63 -52.76 57.1 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.371 0 O-C-N 121.094 -1.239 . . . . 0.0 109.157 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.6 mm -65.64 -41.66 91.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.413 0 O-C-N 121.32 -0.862 . . . . 0.0 108.904 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.21 -38.76 93.65 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.661 -1.376 . . . . 0.0 109.661 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.649 ' CE1' HD11 ' A' ' 29' ' ' LEU . 59.0 t80 -65.66 -48.41 72.21 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.202 -1.175 . . . . 0.0 110.75 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 67.7 t80 -63.52 -47.37 81.92 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.036 -1.04 . . . . 0.0 110.886 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 27' ' ' LEU . 3.1 pp -68.12 -30.45 69.6 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.858 -1.151 . . . . 0.0 109.183 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.599 ' NE2' ' CD1' ' A' ' 52' ' ' LEU . 55.8 tp60 -60.1 -41.63 92.95 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.649 HD11 ' CE1' ' A' ' 25' ' ' TYR . 90.9 mt -61.09 -38.07 84.97 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.641 ' CE2' HD21 ' A' ' 34' ' ' LEU . 79.8 t80 -63.81 -38.31 90.63 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.282 -0.886 . . . . 0.0 109.538 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.09 -46.17 90.26 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.152 -0.968 . . . . 0.0 110.419 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.738 HG21 HD22 ' B' ' 199' ' ' LEU . 1.4 p -62.26 -37.1 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.786 -1.196 . . . . 0.0 108.858 179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.92 -34.73 75.13 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.89 -1.131 . . . . 0.0 108.638 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.641 HD21 ' CE2' ' A' ' 30' ' ' TYR . 3.8 mm? -65.7 -42.54 91.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.258 -0.901 . . . . 0.0 109.42 179.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.9 -48.39 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 O-C-N 121.121 -0.987 . . . . 0.0 110.047 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.2 mp -65.97 -35.04 79.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.23 -0.918 . . . . 0.0 109.384 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -81.37 -0.9 43.37 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.913 . . . . 0.0 109.11 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.818 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 84.5 tt0 -90.29 149.7 22.23 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.39 -0.819 . . . . 0.0 109.724 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.14 150.56 17.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.389 -0.819 . . . . 0.0 109.549 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -58.4 133.08 55.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.264 -0.897 . . . . 0.0 109.869 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.477 ' NH1' ' CB ' ' A' ' 2' ' ' ALA . 67.0 mtp180 -121.85 170.73 9.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.72 -0.612 . . . . 0.0 109.582 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.8 p -57.51 171.35 0.45 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.403 -0.811 . . . . 0.0 110.086 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -56.17 -27.84 55.86 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.636 -0.665 . . . . 0.0 110.878 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -52.03 -41.15 62.05 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.698 -1.251 . . . . 0.0 109.262 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.581 ' O ' ' SD ' ' A' ' 45' ' ' MET . 4.5 tmm? -66.85 -37.87 85.27 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.109 -0.995 . . . . 0.0 109.128 179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.3 p -61.09 -37.65 83.48 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.26 -0.9 . . . . 0.0 109.192 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.52 -44.85 89.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.271 -0.893 . . . . 0.0 108.723 179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.43 -37.22 86.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.345 -0.847 . . . . 0.0 109.105 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.14 94.21 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.129 -0.982 . . . . 0.0 108.761 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -60.88 -40.89 94.73 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.322 -0.861 . . . . 0.0 109.133 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.28 -40.81 95.51 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.267 -0.896 . . . . 0.0 109.576 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.599 ' CD1' ' NE2' ' A' ' 28' ' ' GLN . 3.8 mm? -60.47 -43.59 96.76 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.117 -0.989 . . . . 0.0 109.639 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.56 HD13 HD12 ' A' ' 56' ' ' ILE . 4.0 mm? -61.9 -39.03 90.57 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.065 -1.022 . . . . 0.0 109.063 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -59.92 -40.58 89.37 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.1 m -60.57 -42.33 96.43 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.6 -0.688 . . . . 0.0 109.536 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.56 HD12 HD13 ' A' ' 53' ' ' LEU . 77.7 mt -58.84 -52.01 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.108 -0.995 . . . . 0.0 108.928 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.588 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.6 mt-10 -61.73 -36.39 80.82 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -65.48 -33.41 75.86 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -58.78 -52.21 66.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.346 -0.846 . . . . 0.0 108.802 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.7 mttt -61.37 -38.94 88.81 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.245 -0.91 . . . . 0.0 108.9 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -82.14 -1.12 47.81 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.377 -0.827 . . . . 0.0 109.459 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.9 tt0 -48.19 -31.78 6.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.305 -0.872 . . . . 0.0 110.556 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.562 HD11 ' SD ' ' A' ' 79' ' ' MET . 84.8 mt -67.01 -41.34 87.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 120.907 -1.121 . . . . 0.0 109.539 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.9 -5.27 8.06 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.517 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 94.08 -6.58 72.66 Favored Glycine 0 N--CA 1.488 2.151 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -64.71 -46.77 80.9 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.153 -1.204 . . . . 0.0 109.696 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 70' ' ' GLU . 17.6 m -65.18 -32.58 74.34 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.195 -0.941 . . . . 0.0 108.784 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -61.04 -28.33 68.98 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.588 -0.695 . . . . 0.0 109.669 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.34 94.23 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 120.904 -1.122 . . . . 0.0 110.154 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.5 mt-10 -135.14 145.36 47.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.156 -0.965 . . . . 0.0 109.996 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 48.75 42.49 19.84 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.221 -0.925 . . . . 0.0 109.166 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.7 p -63.82 -37.28 86.78 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.322 -0.861 . . . . 0.0 110.156 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.51 -42.48 98.87 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.082 -1.011 . . . . 0.0 109.87 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -66.93 -46.82 73.58 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.255 -0.903 . . . . 0.0 110.798 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.6 p -65.25 -42.69 93.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.946 -1.096 . . . . 0.0 109.872 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.452 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 95.5 mt -68.47 -38.12 80.77 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.354 -0.841 . . . . 0.0 109.956 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -59.97 -45.65 91.99 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.418 -0.801 . . . . 0.0 110.29 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.15 -50.21 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.038 -1.039 . . . . 0.0 109.999 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.562 ' SD ' HD11 ' A' ' 63' ' ' ILE . 88.2 mtp -68.61 -46.33 69.57 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.187 -0.945 . . . . 0.0 110.618 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.694 ' ND2' ' CE1' ' A' ' 84' ' ' HIS . 18.3 t-20 -65.23 -45.26 85.34 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.197 -0.939 . . . . 0.0 111.042 -178.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 75.9 m -68.42 -49.03 62.92 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.135 -0.978 . . . . 0.0 111.917 -178.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 60.8 mt -72.76 -33.89 66.64 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.851 -1.156 . . . . 0.0 111.581 -178.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.5 mt -79.04 -42.4 23.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 120.867 -1.145 . . . . 0.0 111.09 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.694 ' CE1' ' ND2' ' A' ' 80' ' ' ASN . 80.6 m80 -75.91 -48.18 22.36 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.995 -1.065 . . . . 0.0 110.854 -178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -82.85 106.27 14.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.853 -1.155 . . . . 0.0 109.776 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -61.62 -35.66 78.52 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.403 -0.811 . . . . 0.0 109.929 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.66 -43.44 93.94 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.158 -0.964 . . . . 0.0 109.745 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -62.46 -35.85 80.59 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.46 -38.93 71.24 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.181 -0.949 . . . . 0.0 109.51 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -58.48 -48.47 80.67 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.228 -0.92 . . . . 0.0 110.747 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.075 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -72.51 -37.95 58.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 120.841 -1.162 . . . . 0.0 109.117 -179.495 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 1.075 ' N ' HD13 ' A' ' 91' ' ' ILE . 59.5 t80 -62.14 -44.44 96.62 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 120.999 -1.063 . . . . 0.0 108.156 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 69.9 mtm -69.59 -39.28 77.4 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.511 -0.743 . . . . 0.0 109.501 179.242 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.438 ' O ' ' OG1' ' A' ' 97' ' ' THR . 34.0 tp -61.47 -41.98 98.08 Favored 'General case' 0 N--CA 1.485 1.319 0 O-C-N 121.179 -0.951 . . . . 0.0 109.425 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -63.22 -43.72 97.29 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.222 -0.924 . . . . 0.0 109.537 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.435 ' CE1' HD13 ' A' ' 20' ' ' LEU . 79.4 t80 -62.53 -42.96 99.86 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.242 -0.911 . . . . 0.0 109.662 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 93' ' ' MET . 66.2 p -58.43 -43.2 88.65 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.265 -0.897 . . . . 0.0 109.849 -179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 89.2 mtp -63.0 -43.52 98.56 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.21 -0.931 . . . . 0.0 109.373 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.2 p -71.74 -37.65 70.53 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.238 -0.914 . . . . 0.0 109.178 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.0 tp -64.82 -41.91 95.38 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.282 -0.886 . . . . 0.0 109.152 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.748 ' CE2' HD11 ' A' ' 105' ' ' LEU . 90.1 t80 -61.71 -43.07 99.57 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.4 -0.812 . . . . 0.0 109.811 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -58.54 -41.59 85.89 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.186 -0.947 . . . . 0.0 109.439 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.84 -40.82 96.64 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.347 -0.845 . . . . 0.0 109.621 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.7 mmtt -61.74 -40.88 96.65 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.151 -0.968 . . . . 0.0 109.68 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.748 HD11 ' CE2' ' A' ' 101' ' ' TYR . 80.5 mt -58.51 -45.41 88.86 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.134 -0.979 . . . . 0.0 108.86 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -61.19 -38.62 87.2 Favored 'General case' 0 C--N 1.305 -1.356 0 O-C-N 121.135 -0.978 . . . . 0.0 109.613 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -62.5 -41.03 98.54 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.24 -0.912 . . . . 0.0 109.985 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.796 HD13 ' CE2' ' A' ' 157' ' ' TYR . 74.5 mt -65.41 -37.86 88.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.119 -0.988 . . . . 0.0 109.062 179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -78.03 -53.04 7.87 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.568 -0.707 . . . . 0.0 110.34 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -82.89 -22.97 33.78 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.44 -0.787 . . . . 0.0 110.438 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.587 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.73 155.22 17.82 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 110.145 -1.182 . . . . 0.0 110.145 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -69.03 154.18 71.05 Favored 'Trans proline' 0 C--N 1.31 -1.454 0 C-N-CA 122.807 2.338 . . . . 0.0 111.908 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.572 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 13.8 m-90 -90.51 112.97 24.84 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.256 -0.903 . . . . 0.0 109.761 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.2 m-20 -135.14 173.42 11.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.384 -0.823 . . . . 0.0 109.183 179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.458 ' H ' HG13 ' A' ' 115' ' ' VAL . 2.2 m -62.3 -33.1 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.135 -0.978 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.415 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.0 mtm -60.23 -38.03 82.13 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.325 -0.859 . . . . 0.0 109.462 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.552 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.6 mm? -64.51 -39.11 93.17 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.125 -0.985 . . . . 0.0 109.155 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -59.66 -42.13 92.16 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.228 -0.92 . . . . 0.0 109.158 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -62.43 -39.24 92.69 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.382 -0.824 . . . . 0.0 109.532 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.6 m -62.01 -40.89 97.23 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.319 -0.863 . . . . 0.0 109.86 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.523 HD12 HD13 ' A' ' 158' ' ' LEU . 78.3 mt -63.66 -41.45 98.2 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.262 -0.899 . . . . 0.0 109.457 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -60.81 -37.91 83.59 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.118 -0.989 . . . . 0.0 109.461 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 77.9 m -63.1 -46.11 88.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.219 -0.926 . . . . 0.0 109.691 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 80.1 m -62.65 -46.28 88.95 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.122 -0.986 . . . . 0.0 109.736 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.51 -38.08 76.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.223 -0.923 . . . . 0.0 109.112 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.561 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 89.9 m-20 -61.56 -40.8 96.04 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.355 -0.84 . . . . 0.0 109.847 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.48 -44.0 97.46 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.155 -0.966 . . . . 0.0 109.768 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.631 ' CD1' HD11 ' A' ' 151' ' ' ILE . 31.1 t80 -70.89 -43.04 69.18 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.274 -0.891 . . . . 0.0 109.748 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.1 p -65.46 -34.76 79.05 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.307 -0.871 . . . . 0.0 110.053 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' A' ' 126' ' ' ASP . 73.0 m -68.45 -49.69 58.06 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.111 -0.993 . . . . 0.0 109.72 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 82.9 mt -66.93 -47.74 81.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 O-C-N 121.184 -0.948 . . . . 0.0 109.719 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.585 ' O ' ' N ' ' A' ' 136' ' ' LYS . 42.9 tp -61.82 -39.86 93.27 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.392 -0.818 . . . . 0.0 109.872 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -59.84 -49.38 77.95 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.162 -0.961 . . . . 0.0 109.956 -179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 34.2 tp -65.58 -42.24 91.96 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.184 -0.948 . . . . 0.0 109.648 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.428 ' HA ' HD22 ' A' ' 138' ' ' ASN . 96.0 m95 -86.76 -3.27 59.03 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.363 -0.835 . . . . 0.0 110.274 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.585 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -49.8 -38.94 36.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.171 -0.955 . . . . 0.0 109.787 -179.324 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -64.19 -26.0 68.32 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.193 -0.942 . . . . 0.0 109.428 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.428 HD22 ' HA ' ' A' ' 135' ' ' TRP . 47.6 m-80 -89.66 -3.63 58.15 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.204 -0.935 . . . . 0.0 110.369 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.5 mm -104.92 147.3 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 O-C-N 121.101 -0.999 . . . . 0.0 109.169 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 55.2 p -77.18 155.36 32.31 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.247 -0.908 . . . . 0.0 109.081 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -58.12 -38.59 76.8 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.162 -0.961 . . . . 0.0 109.835 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 41.5 m -74.13 -45.22 50.29 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.811 -1.18 . . . . 0.0 109.61 179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 33.1 t -63.32 -45.63 90.41 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.179 -0.95 . . . . 0.0 109.784 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.579 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.8 OUTLIER -63.53 -39.06 93.43 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.002 -1.061 . . . . 0.0 108.747 179.572 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . 0.428 ' N ' ' CG2' ' A' ' 144' ' ' THR . 0.6 OUTLIER -55.73 -42.73 75.78 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.293 -0.879 . . . . 0.0 108.908 179.612 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.3 m -61.48 -42.96 99.58 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.301 -0.874 . . . . 0.0 109.192 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 54.5 mt -61.69 -39.12 90.32 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.609 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -62.36 -35.64 79.77 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.007 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.416 ' HE2' HD22 ' A' ' 145' ' ' ASN . 66.3 mttm -61.85 -39.75 92.93 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.292 -0.88 . . . . 0.0 109.246 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -62.15 -42.65 99.46 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.078 -1.014 . . . . 0.0 108.288 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.631 HD11 ' CD1' ' A' ' 128' ' ' PHE . 92.4 mt -65.4 -38.42 82.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 34.5 tttt -58.46 -40.86 83.8 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.581 ' HA ' HD12 ' A' ' 156' ' ' ILE . 71.5 t80 -58.55 -43.15 89.22 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 178.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . 0.668 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 28.7 m -62.03 -50.27 72.69 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -63.38 -33.45 75.57 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.402 -0.811 . . . . 0.0 109.516 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 153' ' ' TYR . 14.6 mt -57.93 -48.81 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.291 0 O-C-N 121.21 -0.931 . . . . 0.0 109.813 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.796 ' CE2' HD13 ' A' ' 108' ' ' LEU . 73.2 t80 -63.7 -42.26 98.01 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.523 HD13 HD12 ' A' ' 121' ' ' LEU . 40.6 tp -60.79 -41.34 95.41 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.722 -0.611 . . . . 0.0 109.414 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.4 t -62.81 -40.86 98.67 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.301 -0.875 . . . . 0.0 109.663 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.5 mtpt -61.43 -39.06 89.39 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.108 -0.995 . . . . 0.0 109.144 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.513 HD11 ' CE2' ' A' ' 157' ' ' TYR . 8.9 mp -64.58 -35.95 82.65 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.162 -0.961 . . . . 0.0 108.85 179.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.18 -37.23 84.49 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.338 -0.851 . . . . 0.0 108.947 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -81.85 -10.75 59.22 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.31 -0.869 . . . . 0.0 109.266 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.45 -0.47 71.2 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.8 143.56 26.35 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.192 -1.181 . . . . 0.0 109.756 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.416 ' O ' ' O ' ' A' ' 167' ' ' GLY . 40.8 mm -117.93 135.92 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.531 -0.73 . . . . 0.0 109.348 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 166' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.272 0 CA-C-O 117.998 -1.445 . . . . 0.0 109.564 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.67 154.91 43.77 Favored Pre-proline 0 N--CA 1.49 1.535 0 O-C-N 121.43 -0.794 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -58.85 145.56 96.28 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.585 2.19 . . . . 0.0 112.182 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.86 144.18 39.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.252 -0.905 . . . . 0.0 109.439 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 180' ' ' ILE . . . . . 0.676 HG22 ' HG3' ' B' ' 181' ' ' LYS . 69.7 mt -113.92 136.51 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.51 -0.744 . . . . 0.0 109.408 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 181' ' ' LYS . . . . . 0.676 ' HG3' HG22 ' B' ' 180' ' ' ILE . 23.5 mttm 57.68 46.79 16.8 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.496 -0.752 . . . . 0.0 109.544 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -60.7 -32.2 71.45 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.222 -0.924 . . . . 0.0 109.399 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -57.59 -36.16 71.36 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.319 -0.863 . . . . 0.0 109.406 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -95.43 140.48 30.24 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.222 -0.924 . . . . 0.0 109.536 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 185' ' ' VAL . . . . . 0.483 HG12 ' H ' ' B' ' 187' ' ' VAL . 43.7 t -110.78 142.41 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.438 -0.789 . . . . 0.0 109.433 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -48.95 -36.64 17.91 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.303 -0.873 . . . . 0.0 109.394 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 187' ' ' VAL . . . . . 0.483 ' H ' HG12 ' B' ' 185' ' ' VAL . 76.0 t -62.77 -42.01 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.214 -0.929 . . . . 0.0 109.294 179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -61.36 -35.22 76.85 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.007 -1.058 . . . . 0.0 109.561 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -58.76 -46.55 87.21 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.313 -0.867 . . . . 0.0 110.571 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . 0.427 ' HG2' ' H ' ' B' ' 190' ' ' GLU . 12.5 pt-20 -69.22 -40.86 77.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.182 -0.949 . . . . 0.0 110.473 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -58.95 -41.67 87.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.773 -1.205 . . . . 0.0 109.422 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.54 -39.17 91.43 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.191 -0.943 . . . . 0.0 109.095 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -63.17 -39.49 94.8 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.305 -0.872 . . . . 0.0 109.105 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -60.65 -43.68 97.3 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.332 -0.855 . . . . 0.0 109.357 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 39.5 tp -61.15 -42.38 98.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.26 -0.9 . . . . 0.0 109.127 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.93 92.25 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.258 -0.901 . . . . 0.0 109.077 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.37 -35.45 81.01 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.228 -0.92 . . . . 0.0 109.107 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . 0.588 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 59.9 ttt-85 -61.13 -43.4 98.95 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.235 -0.915 . . . . 0.0 109.131 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . 0.738 HD22 HG21 ' A' ' 32' ' ' VAL . 5.5 tp -61.48 -44.28 97.37 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.359 -0.838 . . . . 0.0 108.891 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -59.17 -37.6 77.74 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.61 -34.81 78.71 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 202' ' ' LEU . . . . . 0.55 ' CD2' HG21 ' A' ' 56' ' ' ILE . 6.7 tp -59.24 -39.3 82.32 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.453 -0.78 . . . . 0.0 108.914 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -97.02 -0.44 47.3 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.393 -0.817 . . . . 0.0 109.472 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.322 0.582 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.01 -38.15 78.55 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.202 -0.936 . . . . 0.0 109.066 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.6 p -64.02 -38.39 90.89 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.257 -0.902 . . . . 0.0 109.355 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -58.82 -41.21 86.3 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.994 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.83 -39.47 94.31 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.02 -43.62 95.16 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.393 -0.817 . . . . 0.0 109.64 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.42 ' CZ ' ' SG ' ' A' ' 123' ' ' CYS . 0.0 OUTLIER -60.43 -42.48 96.16 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.05 -1.031 . . . . 0.0 108.564 179.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' CG1' HD13 ' A' ' 27' ' ' LEU . 55.7 t -62.75 -36.67 76.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.403 -0.81 . . . . 0.0 109.224 179.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 5' ' ' ALA . 79.0 t -60.52 -39.29 80.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.229 -0.919 . . . . 0.0 108.643 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.5 -45.17 84.61 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.275 -0.89 . . . . 0.0 109.056 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -32.69 74.35 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.686 ' CB ' HE21 ' A' ' 28' ' ' GLN . . . -60.0 -43.29 95.28 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.336 -0.853 . . . . 0.0 108.899 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -61.46 -40.97 96.42 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.78 -39.0 83.43 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.425 -0.797 . . . . 0.0 108.908 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -61.26 -42.43 98.61 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.401 -0.812 . . . . 0.0 109.174 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -58.82 -38.73 79.31 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.253 -0.905 . . . . 0.0 108.86 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -59.93 -30.85 69.33 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.499 -0.751 . . . . 0.0 109.08 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 18' ' ' VAL . 65.6 t -84.1 -8.72 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.446 -0.784 . . . . 0.0 109.644 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.49 17.1 55.86 Favored Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.5 mt -95.72 48.7 1.14 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.411 -1.052 . . . . 0.0 108.953 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.0 -27.9 62.93 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.3 mm -58.17 -54.85 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 120.871 -1.37 . . . . 0.0 109.945 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.8 mp -65.76 -35.07 74.28 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.093 -1.004 . . . . 0.0 109.451 179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.96 -42.64 96.93 Favored Glycine 0 N--CA 1.488 2.104 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.701 ' CE2' HD11 ' A' ' 29' ' ' LEU . 75.8 t80 -65.01 -48.77 72.73 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.034 -1.274 . . . . 0.0 110.46 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.443 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 71.5 m-85 -72.08 -41.01 67.85 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.072 -1.018 . . . . 0.0 110.798 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.743 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -67.87 -36.41 80.21 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.808 -1.183 . . . . 0.0 109.404 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.686 HE21 ' CB ' ' A' ' 12' ' ' ALA . 79.3 mm-40 -64.41 -39.72 94.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.895 -1.128 . . . . 0.0 108.924 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.701 HD11 ' CE2' ' A' ' 25' ' ' TYR . 51.1 mt -60.17 -38.43 83.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.124 -0.985 . . . . 0.0 108.358 178.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -65.93 -36.05 82.29 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.28 -0.887 . . . . 0.0 109.264 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.05 -46.02 92.38 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.267 -0.896 . . . . 0.0 110.231 -179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.541 HG21 HD22 ' B' ' 199' ' ' LEU . 1.5 p -64.7 -44.41 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 120.823 -1.173 . . . . 0.0 108.894 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -61.08 -34.66 75.27 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.98 -1.075 . . . . 0.0 108.646 179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.994 HD23 ' HB2' ' A' ' 5' ' ' ALA . 37.6 tp -63.96 -44.59 92.3 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.321 -0.862 . . . . 0.0 109.809 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.28 -43.05 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.228 -0.92 . . . . 0.0 110.085 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mp -61.16 -31.94 71.67 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.35 -0.844 . . . . 0.0 109.446 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.9 p -71.52 -23.95 61.87 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.162 -0.961 . . . . 0.0 109.335 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.92 150.89 48.57 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.345 -0.847 . . . . 0.0 109.764 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.14 151.43 12.34 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.324 -0.86 . . . . 0.0 109.013 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -56.93 136.56 55.96 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.192 -0.943 . . . . 0.0 109.926 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -122.35 170.97 9.41 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.5 m -57.0 170.46 0.44 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.29 -0.881 . . . . 0.0 109.753 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -55.92 -26.17 46.43 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.551 -0.718 . . . . 0.0 110.842 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.25 -41.86 63.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.728 -1.232 . . . . 0.0 109.328 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.577 ' O ' ' SD ' ' A' ' 45' ' ' MET . 8.4 tmm? -66.14 -38.64 88.63 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.091 -1.006 . . . . 0.0 108.797 179.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.5 m -59.53 -40.19 86.39 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.331 -0.855 . . . . 0.0 109.306 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.45 99.62 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.361 -0.837 . . . . 0.0 108.997 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.07 -36.73 84.98 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.413 -0.804 . . . . 0.0 109.319 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.65 -41.44 98.21 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.255 -0.903 . . . . 0.0 109.187 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.6 m -61.83 -41.4 97.75 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.374 -0.829 . . . . 0.0 109.443 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.6 -41.92 98.28 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.262 -0.899 . . . . 0.0 109.528 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.463 HD23 ' HB ' ' A' ' 32' ' ' VAL . 32.5 tp -60.21 -42.26 94.77 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.15 -0.969 . . . . 0.0 109.379 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.69 HD12 HD12 ' A' ' 56' ' ' ILE . 42.4 tp -61.4 -38.93 88.86 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.137 -0.977 . . . . 0.0 108.819 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -59.79 -39.26 84.37 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 59' ' ' PHE . 46.0 m -60.21 -41.97 94.13 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.564 -0.71 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.69 HD12 HD12 ' A' ' 53' ' ' LEU . 91.9 mt -58.56 -51.96 65.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.17 -0.956 . . . . 0.0 108.948 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.527 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.7 mt-10 -63.03 -36.67 84.34 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 178.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.604 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -68.56 -31.37 70.54 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' THR . 58.6 t80 -58.71 -54.05 51.48 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.182 -0.949 . . . . 0.0 109.266 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -61.44 -43.72 98.37 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.116 -0.99 . . . . 0.0 109.511 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -83.19 -1.98 54.39 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.391 -0.818 . . . . 0.0 110.422 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.604 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.7 tt0 -48.93 -35.7 15.57 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.028 -1.045 . . . . 0.0 110.05 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.541 HD11 ' SD ' ' A' ' 79' ' ' MET . 89.1 mt -68.97 -40.95 81.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 121.081 -1.012 . . . . 0.0 109.916 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.28 -5.43 72.59 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.101 -1.6 . . . . 0.0 109.101 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.37 -5.72 82.62 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -66.24 -47.0 75.2 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.125 -1.221 . . . . 0.0 109.903 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.4 m -67.17 -34.23 77.09 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.233 -0.917 . . . . 0.0 109.192 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 69' ' ' ALA . 96.9 mt-10 -61.92 -29.75 70.43 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.517 -0.739 . . . . 0.0 109.835 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -40.0 -36.08 0.44 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.26 -0.9 . . . . 0.0 109.879 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -111.85 131.82 55.1 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.445 -0.784 . . . . 0.0 109.149 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 51.82 47.1 25.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.156 -0.965 . . . . 0.0 109.216 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.6 t -57.46 -39.21 75.84 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.315 -0.866 . . . . 0.0 110.371 -179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.483 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 90.8 m-20 -59.71 -43.05 94.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.087 -1.008 . . . . 0.0 110.328 -179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -65.94 -42.02 90.55 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.133 -0.979 . . . . 0.0 110.386 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.6 p -65.2 -42.66 93.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.015 -1.053 . . . . 0.0 109.997 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 76' ' ' LEU . 96.3 mt -68.4 -37.98 80.87 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.322 -0.861 . . . . 0.0 109.833 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 65.7 m170 -60.19 -45.2 93.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.281 -0.887 . . . . 0.0 110.448 -179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.48 -49.8 67.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 O-C-N 121.167 -0.958 . . . . 0.0 110.404 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.541 ' SD ' HD11 ' A' ' 63' ' ' ILE . 88.6 mtp -68.13 -46.64 70.3 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.137 -0.977 . . . . 0.0 110.959 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.439 ' HA ' ' HD1' ' A' ' 84' ' ' HIS . 15.6 m120 -67.81 -40.24 83.87 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 120.978 -1.076 . . . . 0.0 111.146 -178.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.488 HG22 ' HD2' ' A' ' 88' ' ' LYS . 90.0 m -69.22 -49.92 52.04 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.053 -1.029 . . . . 0.0 111.887 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.4 mt -74.51 -33.93 62.92 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.821 -1.174 . . . . 0.0 111.56 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.3 mt -77.08 -35.63 23.39 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 O-C-N 120.834 -1.166 . . . . 0.0 111.025 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.439 ' HD1' ' HA ' ' A' ' 80' ' ' ASN . 77.3 m80 -89.7 -30.89 17.76 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.869 -1.144 . . . . 0.0 111.167 -178.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -85.64 108.79 18.17 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.747 -1.22 . . . . 0.0 109.737 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -62.09 -39.22 91.73 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.515 -0.741 . . . . 0.0 111.175 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.69 -47.64 80.36 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.96 -1.088 . . . . 0.0 110.574 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.488 ' HD2' HG22 ' A' ' 81' ' ' THR . 69.3 mttm -63.23 -32.69 74.16 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.131 -0.981 . . . . 0.0 108.991 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB1' ' CE2' ' A' ' 26' ' ' TYR . . . -66.61 -44.9 80.83 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.332 -0.855 . . . . 0.0 110.221 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.605 ' HZ2' ' CB ' ' A' ' 135' ' ' TRP . 16.6 tttp -63.52 -48.34 77.94 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.973 -1.079 . . . . 0.0 111.215 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.085 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -65.25 -38.66 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.67 -1.269 . . . . 0.0 109.206 -178.816 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 1.085 ' N ' HD13 ' A' ' 91' ' ' ILE . 45.0 t80 -63.34 -43.46 97.65 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.6 mtp -70.42 -42.6 71.4 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.598 -0.689 . . . . 0.0 109.65 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -61.58 -39.03 89.69 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 179.723 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -60.85 -45.74 93.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.378 -0.826 . . . . 0.0 109.679 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.756 ' CE2' HD11 ' A' ' 100' ' ' LEU . 75.0 t80 -65.29 -47.2 77.45 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.275 -0.891 . . . . 0.0 109.824 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.1 p -60.99 -40.17 92.44 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.251 -0.906 . . . . 0.0 109.748 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.1 ttp -60.36 -40.14 89.69 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.179 -0.95 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.0 p -64.93 -36.25 83.77 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.315 -0.866 . . . . 0.0 109.654 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.756 HD11 ' CE2' ' A' ' 96' ' ' PHE . 87.4 mt -66.82 -40.3 87.99 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.152 -0.967 . . . . 0.0 109.827 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.43 ' OH ' ' CD2' ' A' ' 153' ' ' TYR . 78.1 t80 -61.42 -48.71 79.96 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 120.961 -1.087 . . . . 0.0 109.681 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -67.67 -45.74 74.35 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.31 -0.869 . . . . 0.0 110.519 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -65.13 -46.79 79.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.124 -0.985 . . . . 0.0 110.422 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -65.35 -37.1 86.03 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.017 -1.052 . . . . 0.0 109.312 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.7 tp -55.96 -50.51 70.6 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.291 -0.881 . . . . 0.0 109.499 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -62.14 -39.26 91.98 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 121.113 -0.992 . . . . 0.0 110.101 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.597 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.2 mt-30 -60.42 -40.48 91.17 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.146 -0.971 . . . . 0.0 109.963 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.412 ' HB3' ' HE1' ' A' ' 113' ' ' TRP . 85.0 mt -66.42 -37.79 86.0 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 120.959 -1.088 . . . . 0.0 109.41 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.5 mttm -75.94 -52.74 9.63 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.373 -0.83 . . . . 0.0 110.313 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -86.12 -22.88 26.85 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.362 -0.836 . . . . 0.0 110.612 -179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -101.45 155.18 18.98 Favored Glycine 0 N--CA 1.494 2.532 0 C-N-CA 119.666 -1.254 . . . . 0.0 110.272 -179.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -69.28 154.37 69.73 Favored 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 122.942 2.428 . . . . 0.0 112.054 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.422 ' CZ3' HG21 ' A' ' 166' ' ' ILE . 26.4 m-90 -92.81 123.92 36.43 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.099 -1.001 . . . . 0.0 109.631 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -134.43 164.37 27.6 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.298 -0.876 . . . . 0.0 108.979 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.419 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.2 m -62.16 -33.1 56.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.073 -1.017 . . . . 0.0 109.146 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.419 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.6 mtm -60.48 -42.86 97.13 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.386 -0.821 . . . . 0.0 109.443 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.55 -37.56 87.06 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.329 -0.857 . . . . 0.0 109.375 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.563 ' HE3' HD13 ' A' ' 161' ' ' LEU . 49.5 mttp -57.97 -44.42 87.08 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.285 -0.884 . . . . 0.0 109.031 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -62.67 -38.7 91.36 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.401 -0.812 . . . . 0.0 109.186 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.1 m -61.82 -40.02 93.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.346 -0.846 . . . . 0.0 109.665 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 84.5 mt -64.42 -41.29 96.68 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.219 -0.926 . . . . 0.0 109.601 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.7 ' CE2' HD13 ' A' ' 158' ' ' LEU . 63.0 m95 -60.83 -39.5 89.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.098 -1.001 . . . . 0.0 109.583 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.42 ' SG ' ' CZ ' ' A' ' 7' ' ' ARG . 73.9 m -62.33 -43.9 97.75 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.115 -0.99 . . . . 0.0 108.909 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 75.1 m -58.96 -45.4 90.6 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.233 -0.917 . . . . 0.0 109.026 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 95.4 mt -60.61 -36.86 73.14 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 O-C-N 121.331 -0.855 . . . . 0.0 109.261 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -58.6 -41.63 86.27 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.278 -0.889 . . . . 0.0 109.014 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.445 HD12 ' N ' ' A' ' 127' ' ' LEU . 7.6 mp -63.25 -42.62 99.21 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.112 -0.993 . . . . 0.0 109.099 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -64.66 -42.49 95.37 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.15 -0.968 . . . . 0.0 109.394 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.8 p -65.71 -35.44 80.77 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.292 -0.88 . . . . 0.0 109.657 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -49.88 53.97 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.114 -0.991 . . . . 0.0 109.509 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.568 HG23 ' CE3' ' A' ' 135' ' ' TRP . 77.9 mt -66.84 -45.33 87.92 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 O-C-N 121.382 -0.824 . . . . 0.0 109.461 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.62 HD11 HE22 ' A' ' 148' ' ' GLN . 16.8 tp -60.71 -41.45 95.24 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.315 -0.865 . . . . 0.0 110.202 -179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 -66.95 -49.55 65.13 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.14 -0.975 . . . . 0.0 111.088 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.65 -46.27 83.2 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.966 -1.084 . . . . 0.0 110.635 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.605 ' CB ' ' HZ2' ' A' ' 90' ' ' LYS . 5.0 m-90 -87.49 4.94 41.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.168 -0.957 . . . . 0.0 110.479 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.7 -43.18 36.89 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.047 -1.033 . . . . 0.0 109.893 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.39 -21.71 64.68 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.213 -0.93 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.449 HD22 ' HA ' ' A' ' 135' ' ' TRP . 30.8 m-80 -89.57 -4.76 57.72 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.267 -0.895 . . . . 0.0 110.447 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.1 mt -111.72 143.86 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.291 -0.88 . . . . 0.0 109.856 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.498 ' N ' ' OG ' ' A' ' 143' ' ' SER . 54.6 p -77.73 155.71 31.07 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.4 -0.812 . . . . 0.0 109.517 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.23 -43.16 87.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.21 -0.931 . . . . 0.0 109.835 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 31.0 m -69.89 -43.93 70.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.837 -1.164 . . . . 0.0 108.629 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.498 ' OG ' ' N ' ' A' ' 140' ' ' SER . 79.9 p -60.3 -32.89 71.64 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -65.26 -38.81 91.47 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 178.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -56.49 -42.82 78.96 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.495 -0.753 . . . . 0.0 109.145 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.3 t -62.53 -51.11 68.71 Favored 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.431 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 52.5 mt -64.42 -40.98 96.81 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.285 -0.884 . . . . 0.0 108.899 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.62 HE22 HD11 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -65.75 -33.25 75.43 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.19 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.98 -45.1 93.83 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.399 -0.813 . . . . 0.0 109.135 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -62.84 -41.95 99.54 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.177 -0.952 . . . . 0.0 108.64 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 88.5 mt -61.9 -38.55 80.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -58.35 -40.34 81.96 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.459 ' HA ' HD12 ' A' ' 156' ' ' ILE . 71.4 t80 -58.33 -43.2 88.13 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 97.7 m -64.66 -50.15 68.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.376 -0.827 . . . . 0.0 108.836 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -60.65 -36.03 77.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.291 -0.881 . . . . 0.0 108.857 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' ' 153' ' ' TYR . 17.2 mt -58.52 -43.76 87.7 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 O-C-N 121.398 -0.814 . . . . 0.0 109.731 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.28 -43.75 97.03 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.256 -0.903 . . . . 0.0 109.489 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.7 HD13 ' CE2' ' A' ' 122' ' ' TRP . 80.9 mt -59.95 -38.94 83.91 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.175 -0.953 . . . . 0.0 109.627 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.0 m -63.16 -43.84 97.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.119 -0.988 . . . . 0.0 109.948 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.463 ' HZ1' ' HA3' ' A' ' 167' ' ' GLY . 54.2 mtmt -62.07 -39.45 92.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.124 -0.985 . . . . 0.0 109.601 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.563 HD13 ' HE3' ' A' ' 118' ' ' LYS . 99.0 mt -63.05 -36.65 84.28 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.178 -0.951 . . . . 0.0 109.083 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.11 -37.44 87.46 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.27 -0.894 . . . . 0.0 109.133 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -82.88 -7.74 59.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.253 -0.905 . . . . 0.0 109.317 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.84 5.84 73.4 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.659 -1.377 . . . . 0.0 109.659 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.56 144.81 25.28 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.269 -1.136 . . . . 0.0 109.752 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.422 HG21 ' CZ3' ' A' ' 113' ' ' TRP . 35.3 mm -115.72 135.22 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.511 -0.743 . . . . 0.0 109.383 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . 0.463 ' HA3' ' HZ1' ' A' ' 160' ' ' LYS . . . . . . . . 0 N--CA 1.491 2.317 0 CA-C-O 117.967 -1.463 . . . . 0.0 109.524 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -67.91 153.84 94.6 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.283 -0.886 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -59.3 145.1 98.9 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 122.59 2.193 . . . . 0.0 112.199 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -101.6 140.87 35.3 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.252 -0.905 . . . . 0.0 109.402 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 83.8 mt -55.79 -41.77 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.234 -0.916 . . . . 0.0 109.531 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -59.38 -35.52 74.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.26 -0.9 . . . . 0.0 109.44 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -62.61 -33.13 74.37 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.196 -0.94 . . . . 0.0 109.651 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -78.27 130.34 36.12 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.266 -0.896 . . . . 0.0 109.48 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -110.12 142.51 41.51 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.447 -0.783 . . . . 0.0 109.628 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 42.7 t -110.46 136.39 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.433 -0.792 . . . . 0.0 109.231 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -73.99 156.11 37.89 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.151 -0.968 . . . . 0.0 109.651 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 187' ' ' VAL . . . . . 0.504 HG12 ' NZ ' ' B' ' 191' ' ' LYS . 59.6 t -67.18 -36.75 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.41 -0.807 . . . . 0.0 109.275 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.84 -33.31 64.38 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.078 -1.014 . . . . 0.0 109.865 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -55.79 -49.6 72.75 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.148 -0.97 . . . . 0.0 110.377 -179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.18 -38.33 78.61 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.105 -0.997 . . . . 0.0 109.841 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 191' ' ' LYS . . . . . 0.504 ' NZ ' HG12 ' B' ' 187' ' ' VAL . 22.7 mttp -57.87 -41.05 81.64 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 120.864 -1.148 . . . . 0.0 109.337 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.34 -39.99 89.55 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.123 -0.986 . . . . 0.0 109.333 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.69 -41.25 94.76 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.274 -0.891 . . . . 0.0 108.947 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -62.27 -40.18 95.36 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.342 -0.849 . . . . 0.0 109.313 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 195' ' ' LEU . . . . . 0.559 HD11 HD23 ' A' ' 53' ' ' LEU . 22.1 tp -58.04 -42.44 85.37 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.362 -0.836 . . . . 0.0 109.213 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.67 90.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.258 -0.901 . . . . 0.0 109.228 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -65.32 -35.57 81.38 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.226 -0.922 . . . . 0.0 109.251 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . 0.527 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 73.2 ttt180 -60.58 -42.82 97.44 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.254 -0.904 . . . . 0.0 109.089 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . 0.541 HD22 HG21 ' A' ' 32' ' ' VAL . 6.4 tp -61.86 -45.3 94.38 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 0.0 109.076 179.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -60.91 -37.08 81.0 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.334 -0.854 . . . . 0.0 109.221 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.96 -37.53 86.23 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.269 -0.895 . . . . 0.0 108.857 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 202' ' ' LEU . . . . . 0.571 ' CD2' HG21 ' A' ' 56' ' ' ILE . 9.6 tp -60.98 -38.49 86.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.356 -0.84 . . . . 0.0 109.067 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -87.59 -8.49 56.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.26 -0.9 . . . . 0.0 109.482 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 117.995 -1.447 . . . . 0.0 109.532 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mtp . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.345 0.593 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.501 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . . . -59.2 -39.88 84.02 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.135 -0.978 . . . . 0.0 109.178 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.7 p -64.03 -37.93 89.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.286 -0.884 . . . . 0.0 109.101 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -58.59 -39.35 80.12 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.936 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.53 -39.68 94.21 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.25 -42.97 96.43 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.475 -0.766 . . . . 0.0 109.379 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.426 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.44 -41.29 93.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.168 -0.958 . . . . 0.0 108.803 179.565 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.527 ' CG1' HD13 ' A' ' 27' ' ' LEU . 46.8 t -63.86 -38.16 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.402 -0.811 . . . . 0.0 109.676 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.889 HG22 HE22 ' A' ' 28' ' ' GLN . 77.8 t -60.45 -39.79 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.219 -0.926 . . . . 0.0 108.695 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.1 -41.46 94.91 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.347 -0.845 . . . . 0.0 108.848 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.19 -33.75 72.11 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.657 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -57.27 -44.96 84.42 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.219 -0.926 . . . . 0.0 108.65 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -64.01 -41.16 97.56 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.432 -0.792 . . . . 0.0 109.224 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -59.73 -43.56 94.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.332 -0.855 . . . . 0.0 109.767 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -61.89 -41.28 97.7 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.349 -0.844 . . . . 0.0 109.587 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.492 ' OD2' ' OE1' ' A' ' 62' ' ' GLU . 55.4 t0 -58.92 -37.96 77.86 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.14 -0.975 . . . . 0.0 108.887 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -60.67 -31.0 70.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.44 -0.787 . . . . 0.0 109.204 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 18' ' ' VAL . 45.9 t -84.24 -2.49 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.325 -0.859 . . . . 0.0 109.573 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.3 8.36 68.55 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.4 mt -95.86 33.62 1.65 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.508 -0.995 . . . . 0.0 109.041 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.71 -31.8 16.33 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.4 mm -58.69 -49.06 83.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 121.112 -1.228 . . . . 0.0 109.396 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.6 mm -64.45 -45.14 96.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.21 -0.932 . . . . 0.0 109.011 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.591 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.11 -36.56 89.09 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.752 ' CE2' HD11 ' A' ' 29' ' ' LEU . 69.2 t80 -64.79 -48.0 76.04 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.379 -1.071 . . . . 0.0 111.086 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.6 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 78.9 t80 -62.84 -47.43 83.44 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.968 -1.083 . . . . 0.0 111.172 -178.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.657 HD11 ' HB2' ' A' ' 12' ' ' ALA . 3.7 pp -65.19 -32.08 73.57 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.769 -1.207 . . . . 0.0 108.866 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.889 HE22 HG22 ' A' ' 9' ' ' VAL . 53.7 tp60 -60.13 -40.98 91.65 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 178.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.752 HD11 ' CE2' ' A' ' 25' ' ' TYR . 96.8 mt -60.71 -37.34 81.38 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 178.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.579 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 79.7 t80 -65.26 -36.19 83.34 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.36 -0.838 . . . . 0.0 109.094 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.96 -46.01 92.43 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.275 -0.89 . . . . 0.0 110.21 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -64.86 -41.96 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 120.81 -1.181 . . . . 0.0 108.861 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.41 -35.28 77.1 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.898 -1.126 . . . . 0.0 108.81 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.936 HD23 ' HB2' ' A' ' 5' ' ' ALA . 28.9 tp -63.86 -42.13 97.61 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.421 -0.799 . . . . 0.0 109.786 179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.44 -48.1 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 O-C-N 121.17 -0.956 . . . . 0.0 109.833 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.5 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.6 mp -64.4 -34.55 78.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.363 -0.836 . . . . 0.0 109.266 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.8 m -83.55 -0.16 49.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.228 -0.92 . . . . 0.0 108.767 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -89.19 150.25 22.76 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.606 -0.684 . . . . 0.0 109.629 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.67 150.52 15.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.32 -0.863 . . . . 0.0 109.171 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -57.84 136.09 56.94 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.227 -0.921 . . . . 0.0 109.967 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.501 ' NH1' ' HB3' ' A' ' 2' ' ' ALA . 76.5 mtp180 -122.54 169.9 10.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.702 -0.624 . . . . 0.0 109.421 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.2 t -58.07 171.32 0.55 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.239 -0.913 . . . . 0.0 109.901 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -56.54 -27.71 58.26 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.517 -0.739 . . . . 0.0 110.571 -179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.41 -40.13 49.22 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.745 -1.222 . . . . 0.0 109.444 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.574 ' O ' ' SD ' ' A' ' 45' ' ' MET . 10.7 tmm? -64.53 -37.32 87.14 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.177 -0.952 . . . . 0.0 109.353 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.2 p -60.53 -38.52 84.7 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.236 -0.915 . . . . 0.0 109.163 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.62 94.64 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.239 -0.913 . . . . 0.0 108.704 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.02 -35.79 81.86 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.351 -0.843 . . . . 0.0 109.211 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.73 99.45 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.216 -0.927 . . . . 0.0 109.183 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.4 m -61.27 -42.63 98.96 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.216 -0.928 . . . . 0.0 109.015 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.27 -39.12 91.88 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.244 -0.91 . . . . 0.0 108.967 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.826 HD11 ' NE2' ' A' ' 28' ' ' GLN . 30.7 tp -58.75 -41.61 86.94 Favored 'General case' 0 N--CA 1.486 1.331 0 O-C-N 121.319 -0.863 . . . . 0.0 109.121 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.461 HD22 HD11 ' B' ' 195' ' ' LEU . 32.3 tp -61.15 -41.57 96.99 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.277 -0.889 . . . . 0.0 108.781 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -61.06 -39.37 89.59 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.554 ' O ' ' N ' ' A' ' 59' ' ' PHE . 44.2 m -60.17 -40.65 90.71 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.645 -0.659 . . . . 0.0 109.821 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.548 HG21 ' CD2' ' B' ' 202' ' ' LEU . 83.9 mt -60.99 -55.23 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.194 -0.942 . . . . 0.0 109.551 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.25 -39.13 92.25 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.185 -0.947 . . . . 0.0 108.631 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.602 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.7 -30.33 67.95 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 55' ' ' THR . 2.0 t80 -60.29 -54.42 45.97 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.306 -0.871 . . . . 0.0 109.347 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.76 ' NZ ' HG21 ' A' ' 83' ' ' ILE . 31.2 mttt -60.2 -45.97 91.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.135 -0.978 . . . . 0.0 109.447 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -83.56 -1.77 54.53 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.343 -0.848 . . . . 0.0 110.816 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.602 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.6 tt0 -48.9 -36.42 17.12 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.935 -1.103 . . . . 0.0 109.81 -178.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.614 HG21 ' HG2' ' A' ' 68' ' ' GLU . 74.3 mt -71.57 -37.62 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.062 -1.024 . . . . 0.0 109.383 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.0 -6.34 35.27 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.295 -1.522 . . . . 0.0 109.295 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.19 -5.4 85.19 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.835 -1.306 . . . . 0.0 109.835 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -67.93 -47.33 69.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.149 -1.207 . . . . 0.0 109.263 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.7 t -69.39 -42.42 75.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.585 -0.697 . . . . 0.0 109.554 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.614 ' HG2' HG21 ' A' ' 63' ' ' ILE . 78.8 mm-40 -65.23 -34.88 79.42 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.406 -0.809 . . . . 0.0 109.14 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.566 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . 11.06 -76.21 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.202 0 CA-C-O 121.4 0.619 . . . . 0.0 111.711 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.601 ' N ' ' O ' ' A' ' 68' ' ' GLU . 71.9 mm-40 -57.34 135.76 56.53 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.365 -0.834 . . . . 0.0 109.158 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 47.84 45.5 18.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.047 -1.033 . . . . 0.0 108.909 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t -57.4 -39.26 75.73 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.407 -0.808 . . . . 0.0 110.31 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -59.63 -44.17 93.57 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.042 -1.036 . . . . 0.0 109.593 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.5 tttp -62.39 -40.18 95.63 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.262 -0.899 . . . . 0.0 109.324 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -60.97 -41.67 96.84 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.306 -0.871 . . . . 0.0 109.881 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.5 mt -61.72 -38.81 89.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.151 -0.968 . . . . 0.0 108.916 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.484 ' O ' ' OG1' ' A' ' 81' ' ' THR . 24.5 t-80 -61.19 -43.51 98.76 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.407 -0.808 . . . . 0.0 109.683 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -63.19 -49.05 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.205 -0.934 . . . . 0.0 110.028 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.457 ' O ' HD12 ' A' ' 83' ' ' ILE . 70.9 mtm -66.95 -46.01 76.04 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.994 -1.066 . . . . 0.0 109.812 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.583 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 88.5 m-20 -70.03 -44.17 69.81 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.144 -0.973 . . . . 0.0 110.84 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 61.6 m -64.18 -49.09 73.44 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.102 -0.999 . . . . 0.0 111.852 -178.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.435 HD23 ' HG2' ' A' ' 88' ' ' LYS . 69.1 mt -71.63 -34.3 69.67 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.781 -1.2 . . . . 0.0 110.853 -178.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.76 HG21 ' NZ ' ' A' ' 60' ' ' LYS . 86.3 mt -79.46 -42.1 22.84 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.463 0 O-C-N 121.01 -1.056 . . . . 0.0 111.239 -178.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.583 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 43.0 m80 -67.97 -44.99 75.42 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.961 -1.087 . . . . 0.0 111.506 -178.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -80.09 109.41 14.52 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.755 -1.216 . . . . 0.0 110.271 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.494 ' CG ' ' N ' ' A' ' 87' ' ' GLU . 9.9 pt20 -62.57 -41.88 99.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.6 -0.687 . . . . 0.0 110.721 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.494 ' N ' ' CG ' ' A' ' 86' ' ' GLN . 77.7 mm-40 -64.54 -40.23 95.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.134 -0.979 . . . . 0.0 109.483 -179.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.435 ' HG2' HD23 ' A' ' 82' ' ' LEU . 6.4 tptm -60.69 -30.89 70.21 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.87 -42.51 69.98 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.452 -0.78 . . . . 0.0 109.015 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.4 tttp -63.18 -48.77 76.98 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.992 -1.067 . . . . 0.0 110.411 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.716 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -64.15 -40.07 87.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 120.989 -1.07 . . . . 0.0 108.423 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.716 ' N ' HD12 ' A' ' 91' ' ' ILE . 62.4 t80 -66.99 -46.98 72.91 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.6 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 70.0 mtm -68.38 -38.92 81.82 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.368 -0.833 . . . . 0.0 109.814 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 94' ' ' LEU . 38.1 tp -60.61 -41.42 94.74 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.015 -1.053 . . . . 0.0 108.956 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -63.75 -43.47 96.35 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.349 -0.844 . . . . 0.0 109.202 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.543 ' HE2' HD22 ' A' ' 100' ' ' LEU . 67.6 t80 -63.61 -43.19 97.61 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.53 -0.731 . . . . 0.0 109.641 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.742 HG22 HD23 ' A' ' 127' ' ' LEU . 50.4 p -62.08 -43.82 98.0 Favored 'General case' 0 C--N 1.305 -1.328 0 O-C-N 121.234 -0.916 . . . . 0.0 109.784 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 95.9 mmm -64.46 -43.1 95.28 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.219 -0.925 . . . . 0.0 109.242 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.8 t -70.6 -42.45 70.98 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.353 -0.842 . . . . 0.0 109.656 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.559 HD23 ' SG ' ' A' ' 124' ' ' CYS . 31.6 tp -64.7 -40.45 95.39 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.368 -0.832 . . . . 0.0 109.689 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.661 ' CE2' HD11 ' A' ' 105' ' ' LEU . 80.0 t80 -63.0 -44.15 96.81 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.265 -0.897 . . . . 0.0 109.798 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -58.88 -42.1 88.7 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.328 -0.857 . . . . 0.0 109.763 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -62.45 -38.38 89.56 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.283 -0.886 . . . . 0.0 109.403 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -63.31 -42.23 99.0 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.215 -0.928 . . . . 0.0 109.668 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.661 HD11 ' CE2' ' A' ' 101' ' ' TYR . 80.9 mt -57.13 -45.68 83.32 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.092 -1.005 . . . . 0.0 109.03 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -61.01 -39.24 88.96 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.227 -0.92 . . . . 0.0 109.293 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 111' ' ' GLY . 59.2 tp60 -62.63 -41.2 98.89 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.436 -0.79 . . . . 0.0 109.821 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.945 HD13 ' CE2' ' A' ' 157' ' ' TYR . 88.8 mt -64.39 -37.6 88.08 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.009 -1.057 . . . . 0.0 109.927 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -77.85 -52.82 8.28 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.314 -0.866 . . . . 0.0 110.812 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -94.8 -22.72 17.88 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.301 -0.874 . . . . 0.0 110.72 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -94.24 153.11 20.95 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 119.514 -1.327 . . . . 0.0 110.232 -179.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -70.34 154.23 65.62 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.844 2.363 . . . . 0.0 111.944 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.491 ' CZ2' HG21 ' A' ' 166' ' ' ILE . 23.1 m-90 -90.41 121.97 32.86 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.117 -0.989 . . . . 0.0 109.657 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.5 m-20 -134.7 164.51 27.35 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.302 -0.874 . . . . 0.0 109.348 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.405 HG13 ' H ' ' A' ' 115' ' ' VAL . 2.8 m -63.93 -31.65 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.297 -0.877 . . . . 0.0 109.108 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.8 mtm -59.41 -40.11 85.61 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.416 -0.803 . . . . 0.0 109.683 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 78.1 mt -64.11 -37.92 89.2 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.096 -1.002 . . . . 0.0 109.237 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -61.25 -41.7 97.37 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.257 -0.902 . . . . 0.0 109.397 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -62.17 -43.01 99.78 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.314 -0.866 . . . . 0.0 109.509 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 t -63.99 -37.43 87.4 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.355 -0.841 . . . . 0.0 109.412 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -60.47 -42.5 96.35 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.378 -0.826 . . . . 0.0 109.037 -179.761 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -63.63 -40.21 96.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.135 -0.978 . . . . 0.0 109.411 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.547 ' SG ' ' N ' ' A' ' 124' ' ' CYS . 0.1 OUTLIER -65.56 -41.03 93.41 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.946 . . . . 0.0 109.429 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.559 ' SG ' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -62.04 -49.34 76.4 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.191 -0.943 . . . . 0.0 109.749 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.58 -41.71 88.9 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 O-C-N 121.09 -1.006 . . . . 0.0 109.533 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.562 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.7 m-20 -59.51 -39.55 84.2 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.286 -0.884 . . . . 0.0 109.582 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.742 HD23 HG22 ' A' ' 97' ' ' THR . 53.2 tp -62.54 -46.92 86.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.249 -0.907 . . . . 0.0 109.621 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -71.74 -43.68 65.41 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.318 -0.864 . . . . 0.0 109.699 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.594 ' OG ' ' CE1' ' A' ' 133' ' ' HIS . 11.2 t -64.84 -40.08 94.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.416 -0.803 . . . . 0.0 110.343 -179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.579 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 77.4 m -66.04 -49.85 66.25 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.081 -1.012 . . . . 0.0 110.307 -179.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.401 HG12 ' CZ ' ' A' ' 26' ' ' TYR . 73.1 mt -60.16 -46.44 94.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 0 O-C-N 121.11 -0.994 . . . . 0.0 109.499 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.679 HD21 HE22 ' A' ' 148' ' ' GLN . 23.0 tp -61.53 -37.45 83.8 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.509 -0.745 . . . . 0.0 109.481 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.594 ' CE1' ' OG ' ' A' ' 129' ' ' SER . 63.6 m170 -57.82 -47.99 81.03 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.299 -0.875 . . . . 0.0 110.226 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.06 -47.19 84.03 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.053 -1.029 . . . . 0.0 109.938 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.452 ' CH2' ' NE2' ' A' ' 86' ' ' GLN . 23.2 m95 -88.94 4.36 48.31 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.41 -0.806 . . . . 0.0 110.589 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 132' ' ' LEU . 1.9 tptp -52.79 -35.36 56.55 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.165 -0.959 . . . . 0.0 109.477 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -63.09 -25.7 68.49 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.166 -0.959 . . . . 0.0 109.286 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -89.55 -1.39 58.02 Favored 'General case' 0 C--N 1.306 -1.313 0 O-C-N 121.248 -0.907 . . . . 0.0 110.054 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.8 mm -102.76 139.48 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.148 -0.97 . . . . 0.0 109.535 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 53.8 p -77.86 155.45 30.99 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.329 -0.857 . . . . 0.0 108.952 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.99 -43.89 70.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.08 -1.013 . . . . 0.0 109.749 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 29.3 m -69.94 -43.5 71.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.909 -1.119 . . . . 0.0 109.439 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.8 m -58.92 -40.5 84.72 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.571 ' OG1' ' NE2' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -61.4 -38.66 87.88 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 178.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -56.7 -41.99 78.35 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.506 -0.746 . . . . 0.0 109.452 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.1 m -62.55 -51.1 68.73 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.236 -0.915 . . . . 0.0 109.591 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 147' ' ' LEU . 9.7 mp -66.21 -42.57 88.57 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.171 -0.955 . . . . 0.0 109.048 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.679 HE22 HD21 ' A' ' 132' ' ' LEU . 0.2 OUTLIER -63.01 -35.24 79.56 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.319 -0.863 . . . . 0.0 108.735 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -59.51 -43.46 93.38 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -60.34 -39.6 87.68 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.278 -0.889 . . . . 0.0 108.933 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 36.5 mm -61.29 -42.44 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.302 -0.874 . . . . 0.0 109.163 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -58.7 -37.99 77.29 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.176 -0.953 . . . . 0.0 109.111 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -60.83 -43.02 98.81 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.218 -0.926 . . . . 0.0 108.875 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . 0.655 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 33.4 m -67.57 -50.65 57.43 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.341 -0.85 . . . . 0.0 109.043 179.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -63.45 -35.96 82.16 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.401 -0.812 . . . . 0.0 109.532 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 10.9 mt -58.7 -48.75 84.97 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 O-C-N 121.27 -0.894 . . . . 0.0 110.045 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.945 ' CE2' HD13 ' A' ' 108' ' ' LEU . 68.8 t80 -63.94 -41.18 97.68 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.03 -1.044 . . . . 0.0 108.351 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . . . . . . . . . 39.4 tp -59.01 -41.17 87.09 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.599 -0.688 . . . . 0.0 109.505 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.6 m -61.9 -40.96 97.25 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.155 -0.965 . . . . 0.0 109.187 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.429 ' HZ1' ' HA3' ' A' ' 167' ' ' GLY . 53.6 mtmt -61.58 -38.67 88.39 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.358 -0.839 . . . . 0.0 109.387 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.514 HD11 ' HE2' ' A' ' 157' ' ' TYR . 54.4 mt -63.03 -36.69 84.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.035 -1.041 . . . . 0.0 108.641 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.58 83.08 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.357 -0.84 . . . . 0.0 108.952 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -81.55 -11.99 58.97 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.339 -0.85 . . . . 0.0 109.371 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.14 1.13 72.95 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.717 -1.353 . . . . 0.0 109.717 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -94.76 141.94 28.04 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.275 -1.132 . . . . 0.0 109.758 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.491 HG21 ' CZ2' ' A' ' 113' ' ' TRP . 34.2 mm -115.04 134.56 57.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.408 -0.808 . . . . 0.0 109.321 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 166' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.299 0 CA-C-O 117.975 -1.458 . . . . 0.0 109.503 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 177' ' ' VAL . . . . . 0.418 ' H ' HG22 ' B' ' 177' ' ' VAL . 0.2 OUTLIER -67.95 153.8 94.71 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.292 -0.88 . . . . 0.0 109.329 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -58.28 147.1 86.4 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.705 2.27 . . . . 0.0 112.187 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.0 145.18 31.28 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.314 -0.866 . . . . 0.0 109.518 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 83.8 mt -56.3 -37.98 52.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.294 -0.879 . . . . 0.0 109.598 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -85.46 139.87 31.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.225 -0.922 . . . . 0.0 109.429 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -69.81 138.94 53.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.257 -0.902 . . . . 0.0 109.592 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -60.3 -32.8 71.55 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.244 -0.91 . . . . 0.0 109.463 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.36 -32.91 62.94 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.277 -0.89 . . . . 0.0 109.7 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 43.2 t -108.17 137.1 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.402 -0.811 . . . . 0.0 109.614 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -100.11 157.85 16.27 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.329 -0.857 . . . . 0.0 109.5 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.57 -42.89 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.323 -0.86 . . . . 0.0 109.833 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.628 ' OD1' ' N ' ' B' ' 189' ' ' ASP . 54.2 p30 -64.0 -29.25 70.42 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.953 -1.092 . . . . 0.0 109.882 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 189' ' ' ASP . . . . . 0.628 ' N ' ' OD1' ' B' ' 188' ' ' ASP . 38.1 t0 -60.34 -46.93 88.17 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.067 -1.021 . . . . 0.0 110.057 -179.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.34 -42.33 75.45 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.304 -0.873 . . . . 0.0 110.256 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -57.69 -42.62 84.04 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.713 -1.242 . . . . 0.0 109.599 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.25 -38.51 90.57 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.129 -0.982 . . . . 0.0 109.172 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.94 -40.07 94.26 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.221 -0.924 . . . . 0.0 109.058 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -60.89 -43.09 98.97 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 109.44 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 195' ' ' LEU . . . . . 0.461 HD11 HD22 ' A' ' 53' ' ' LEU . 42.9 tp -60.13 -40.41 89.68 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.292 -0.88 . . . . 0.0 109.455 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.06 94.87 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.227 -0.92 . . . . 0.0 109.032 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -64.95 -34.93 79.6 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.351 -0.843 . . . . 0.0 109.132 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -60.2 -44.12 95.39 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.25 -0.906 . . . . 0.0 109.132 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 3.3 tp -62.46 -42.4 99.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.263 -0.898 . . . . 0.0 108.96 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -59.0 -36.33 74.72 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.391 -0.818 . . . . 0.0 109.047 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.27 85.96 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 202' ' ' LEU . . . . . 0.548 ' CD2' HG21 ' A' ' 56' ' ' ILE . 13.2 tp -59.97 -38.98 84.09 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.41 -0.806 . . . . 0.0 108.878 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . 0.427 ' HD3' HD22 ' A' ' 29' ' ' LEU . 59.9 mtm180 -87.72 -8.23 56.34 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.368 -0.833 . . . . 0.0 109.493 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.278 0.561 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.51 ' HB2' ' NE ' ' A' ' 41' ' ' ARG . . . -59.17 -40.45 85.66 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.19 -0.944 . . . . 0.0 109.206 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -63.44 -38.51 91.43 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.207 -0.933 . . . . 0.0 109.035 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -57.34 -40.04 77.15 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.16 -0.963 . . . . 0.0 108.411 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.986 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.52 -39.66 94.2 Favored 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.73 88.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.433 -0.792 . . . . 0.0 109.646 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.403 HH12 ' HD3' ' A' ' 119' ' ' ARG . 10.8 tpt180 -60.62 -39.7 89.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.066 -1.021 . . . . 0.0 109.323 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.705 ' CG1' HD13 ' A' ' 27' ' ' LEU . 56.0 t -62.01 -39.72 84.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.279 -0.888 . . . . 0.0 109.442 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.93 -41.62 89.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.167 -0.958 . . . . 0.0 108.492 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.15 80.12 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.336 -0.852 . . . . 0.0 109.056 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -35.37 80.87 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.468 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -59.64 -42.47 92.8 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.174 -0.954 . . . . 0.0 108.879 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 mttm -60.89 -39.31 88.79 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.341 -0.849 . . . . 0.0 108.732 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -58.06 -41.16 82.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.286 -0.884 . . . . 0.0 109.175 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -62.91 -39.62 95.09 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.331 -0.856 . . . . 0.0 109.365 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -58.22 -39.62 79.52 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.153 -0.967 . . . . 0.0 108.576 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -61.69 -31.11 71.23 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -83.98 -14.17 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.412 -0.805 . . . . 0.0 109.322 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' C ' HD22 ' A' ' 20' ' ' LEU . . . 89.41 14.99 59.29 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.512 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 3.3 mm? -95.68 54.25 1.52 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.288 -1.124 . . . . 0.0 108.89 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.01 -27.82 62.83 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 110.349 -1.1 . . . . 0.0 110.349 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.3 mm -58.07 -49.19 82.3 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.012 -1.287 . . . . 0.0 109.364 -179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 mm -63.53 -41.77 93.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.79 -40.87 97.24 Favored Glycine 0 N--CA 1.486 1.981 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.721 ' CE2' HD11 ' A' ' 29' ' ' LEU . 62.8 t80 -60.62 -48.39 82.0 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.055 -1.262 . . . . 0.0 110.544 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.655 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 48.1 t80 -66.87 -46.92 73.48 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.947 -1.096 . . . . 0.0 110.873 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.715 HD12 ' C ' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -68.41 -36.44 79.11 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.061 -1.024 . . . . 0.0 110.319 -178.733 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.521 ' NE2' HG21 ' A' ' 55' ' ' THR . 82.5 mt-30 -60.94 -40.4 93.13 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.65 -1.281 . . . . 0.0 108.802 178.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.721 HD11 ' CE2' ' A' ' 25' ' ' TYR . 80.2 mt -62.32 -38.75 90.64 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.607 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 72.8 t80 -65.83 -35.99 82.24 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.309 -0.869 . . . . 0.0 109.227 179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.54 -45.79 92.69 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.279 -0.888 . . . . 0.0 110.368 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.697 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -64.7 -41.99 93.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 120.838 -1.164 . . . . 0.0 108.936 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.93 -35.33 78.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.99 -1.069 . . . . 0.0 109.003 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.986 HD23 ' HB2' ' A' ' 5' ' ' ALA . 36.1 tp -63.43 -42.96 98.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.348 -0.845 . . . . 0.0 110.022 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.5 mt -63.65 -48.16 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.021 -1.05 . . . . 0.0 109.821 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.517 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.0 mp -66.26 -36.48 83.11 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.255 -0.903 . . . . 0.0 109.541 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.7 p -72.81 -20.77 61.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.16 -0.963 . . . . 0.0 108.514 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.62 ' CD ' ' HE ' ' A' ' 41' ' ' ARG . 82.0 tt0 -85.43 151.31 24.09 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -55.76 150.34 12.99 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.279 -0.888 . . . . 0.0 109.44 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.512 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 47.5 p30 -58.09 136.7 57.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.319 -0.863 . . . . 0.0 110.498 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.62 ' HE ' ' CD ' ' A' ' 38' ' ' GLU . 95.8 mtt-85 -122.89 171.14 9.43 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.724 -0.61 . . . . 0.0 109.58 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.0 p -57.42 169.4 0.64 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.322 -0.861 . . . . 0.0 110.472 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -56.54 -24.47 47.1 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.773 -0.579 . . . . 0.0 111.248 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -48.5 -44.26 35.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.635 -1.291 . . . . 0.0 109.527 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.28 -34.37 77.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.918 -1.113 . . . . 0.0 108.982 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.5 m -59.3 -41.47 89.07 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.291 -0.88 . . . . 0.0 109.113 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.67 -43.81 88.17 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.188 -0.945 . . . . 0.0 108.806 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.4 tp -61.02 -39.32 89.31 Favored 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.41 -0.807 . . . . 0.0 109.069 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.18 90.15 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.367 -0.833 . . . . 0.0 109.15 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.8 m -60.76 -42.31 97.18 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.332 -0.855 . . . . 0.0 109.105 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.7 -39.73 92.51 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.219 -0.926 . . . . 0.0 109.004 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.57 -40.42 91.62 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.305 -0.872 . . . . 0.0 109.082 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.669 HD22 HD11 ' B' ' 195' ' ' LEU . 45.2 tp -60.69 -40.74 93.28 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.284 -0.885 . . . . 0.0 109.069 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -59.65 -40.42 87.62 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.379 -0.826 . . . . 0.0 108.877 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.521 HG21 ' NE2' ' A' ' 28' ' ' GLN . 41.3 m -60.57 -43.23 97.54 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.635 -0.666 . . . . 0.0 109.692 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.407 HG21 HD22 ' B' ' 202' ' ' LEU . 83.1 mt -62.28 -54.86 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.127 -0.983 . . . . 0.0 109.33 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -61.65 -37.18 83.09 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.5 -33.65 75.53 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.404 -0.81 . . . . 0.0 108.909 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -59.0 -53.98 52.35 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.177 -0.952 . . . . 0.0 109.309 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -59.66 -39.04 83.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.188 -0.945 . . . . 0.0 108.923 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -82.33 -1.99 51.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.486 -0.759 . . . . 0.0 109.754 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.7 tt0 -49.08 -32.81 10.33 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.924 . . . . 0.0 110.258 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.928 HD11 ' SD ' ' A' ' 79' ' ' MET . 80.8 mt -67.42 -41.64 86.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.053 -1.029 . . . . 0.0 109.59 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 70.92 -4.11 11.05 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.782 -1.327 . . . . 0.0 109.782 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.446 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 94.46 -5.68 70.76 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -63.44 -47.05 83.5 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.076 -1.249 . . . . 0.0 109.183 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.488 ' O ' ' O ' ' A' ' 70' ' ' GLU . 18.6 m -68.91 -29.86 68.22 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -55.79 -28.92 58.58 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.604 -0.685 . . . . 0.0 109.484 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.28 96.54 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.999 -1.063 . . . . 0.0 109.953 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.488 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.5 mt-10 -134.47 146.03 49.38 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.313 -0.867 . . . . 0.0 109.879 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 49.81 40.23 19.94 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.251 -0.906 . . . . 0.0 109.228 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 79.6 p -63.21 -37.68 88.19 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.268 -0.895 . . . . 0.0 109.74 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.584 ' O ' ' CD2' ' A' ' 77' ' ' HIS . 89.9 m-20 -62.76 -41.29 99.16 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.183 -0.948 . . . . 0.0 109.598 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -61.74 -45.76 92.53 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.338 -0.851 . . . . 0.0 110.082 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.7 p -64.09 -41.85 97.15 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.144 -0.972 . . . . 0.0 109.785 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.475 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 98.2 mt -68.69 -37.74 79.77 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.262 -0.899 . . . . 0.0 110.049 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 50.5 m-70 -59.85 -45.67 91.7 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.112 -0.992 . . . . 0.0 110.3 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.4 t -69.15 -50.13 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 120.991 -1.068 . . . . 0.0 110.029 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.928 ' SD ' HD11 ' A' ' 63' ' ' ILE . 89.6 mtp -68.41 -46.29 70.36 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.171 -0.956 . . . . 0.0 110.401 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.593 ' OD1' ' CE1' ' A' ' 84' ' ' HIS . 27.9 t30 -65.62 -44.26 87.05 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.239 -0.913 . . . . 0.0 111.196 -178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 74.6 m -70.12 -49.18 53.38 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.08 -1.013 . . . . 0.0 112.094 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.9 mt -72.69 -33.75 66.71 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.871 -1.143 . . . . 0.0 111.662 -177.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 79.8 mt -78.8 -42.18 24.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.939 -1.101 . . . . 0.0 111.291 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.593 ' CE1' ' OD1' ' A' ' 80' ' ' ASN . 80.2 m80 -75.3 -48.18 24.39 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.992 -1.067 . . . . 0.0 111.51 -178.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -84.42 111.03 19.09 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.789 -1.194 . . . . 0.0 110.394 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.467 HE22 HD21 ' A' ' 134' ' ' LEU . 48.5 tt0 -62.02 -36.58 81.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.474 -0.766 . . . . 0.0 110.274 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.04 -41.08 86.99 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.192 -0.943 . . . . 0.0 109.667 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt -62.47 -32.16 73.01 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.223 -0.923 . . . . 0.0 108.707 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.31 -44.59 64.84 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.365 -0.834 . . . . 0.0 110.053 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -63.51 -48.54 77.13 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.032 -1.042 . . . . 0.0 110.49 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -62.64 -41.32 91.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.049 -1.032 . . . . 0.0 108.586 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.698 ' N ' HD12 ' A' ' 91' ' ' ILE . 60.5 t80 -63.01 -46.37 87.96 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.655 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 83.2 mtp -68.74 -40.66 79.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.434 -0.791 . . . . 0.0 109.893 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.26 -40.54 90.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.149 -0.969 . . . . 0.0 108.82 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -62.38 -43.64 98.35 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.367 -0.833 . . . . 0.0 108.965 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.819 ' CE2' HD11 ' A' ' 100' ' ' LEU . 79.1 t80 -65.94 -48.25 71.97 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.496 -0.753 . . . . 0.0 109.635 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.744 HG22 HD23 ' A' ' 127' ' ' LEU . 38.3 p -62.47 -41.53 98.84 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.219 -0.926 . . . . 0.0 109.847 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.2 ttm -60.24 -41.04 92.32 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.275 -0.891 . . . . 0.0 109.038 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.2 t -62.4 -42.09 99.16 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.364 -0.835 . . . . 0.0 109.431 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.819 HD11 ' CE2' ' A' ' 96' ' ' PHE . 81.1 mt -68.25 -37.35 80.68 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.273 -0.892 . . . . 0.0 109.903 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.615 ' CE2' HD11 ' A' ' 105' ' ' LEU . 72.6 t80 -58.15 -48.27 80.78 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.884 -1.135 . . . . 0.0 109.524 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -67.43 -44.07 79.65 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.137 -0.977 . . . . 0.0 110.098 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.13 -43.93 90.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.353 -0.842 . . . . 0.0 110.905 -178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -62.37 -45.85 91.28 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.949 -1.094 . . . . 0.0 110.44 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.615 HD11 ' CE2' ' A' ' 101' ' ' TYR . 93.8 mt -56.53 -52.33 65.19 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.779 -1.201 . . . . 0.0 109.113 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -62.45 -36.34 82.11 Favored 'General case' 0 C--N 1.306 -1.323 0 O-C-N 121.126 -0.984 . . . . 0.0 109.177 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.6 ' O ' ' N ' ' A' ' 111' ' ' GLY . 69.6 tp60 -60.35 -42.34 95.53 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.41 -0.806 . . . . 0.0 109.833 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.844 HD13 ' CE2' ' A' ' 157' ' ' TYR . 89.2 mt -64.97 -37.79 88.8 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.0 -1.063 . . . . 0.0 109.352 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -76.68 -52.85 8.86 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 110.411 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -87.06 -22.7 25.28 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.352 -0.843 . . . . 0.0 110.723 -178.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.6 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -98.54 155.08 20.14 Favored Glycine 0 N--CA 1.493 2.441 0 C-N-CA 119.574 -1.298 . . . . 0.0 110.366 -179.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.0 154.21 67.01 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 122.926 2.417 . . . . 0.0 112.017 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.581 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 22.3 m-90 -94.77 116.16 28.4 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.173 -0.954 . . . . 0.0 109.743 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.9 m-20 -134.99 169.19 17.8 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.344 -0.848 . . . . 0.0 109.146 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.6 m -64.08 -32.62 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 O-C-N 121.178 -0.951 . . . . 0.0 109.443 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.401 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.5 mtm -60.12 -40.5 89.93 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.28 -0.888 . . . . 0.0 109.637 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.4 mm? -67.11 -38.19 85.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.263 -0.898 . . . . 0.0 109.487 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.496 ' HE2' HD23 ' A' ' 161' ' ' LEU . 89.2 mttt -58.43 -46.02 87.33 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.289 -0.882 . . . . 0.0 109.443 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.403 ' HD3' HH12 ' A' ' 7' ' ' ARG . 92.6 mtt180 -62.93 -38.94 93.02 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.297 -0.877 . . . . 0.0 109.67 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.9 m -62.02 -40.16 94.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.298 -0.876 . . . . 0.0 109.884 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.437 ' CD1' HD21 ' A' ' 158' ' ' LEU . 94.7 mt -64.79 -43.92 91.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.17 -0.956 . . . . 0.0 109.961 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.57 ' NE1' HD13 ' A' ' 158' ' ' LEU . 77.2 m95 -61.11 -37.65 83.51 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.963 -1.086 . . . . 0.0 109.614 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.618 ' SG ' ' N ' ' A' ' 124' ' ' CYS . 0.1 OUTLIER -69.0 -45.84 69.54 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.184 -0.948 . . . . 0.0 109.455 179.492 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.618 ' N ' ' SG ' ' A' ' 123' ' ' CYS . 89.6 m -65.42 -48.46 72.74 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.284 -0.885 . . . . 0.0 109.809 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.55 -42.38 91.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 O-C-N 121.125 -0.985 . . . . 0.0 109.421 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 122' ' ' TRP . 90.9 m-20 -59.93 -38.76 83.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.257 -0.902 . . . . 0.0 109.135 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.744 HD23 HG22 ' A' ' 97' ' ' THR . 42.7 tp -61.44 -42.09 98.21 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.356 -0.84 . . . . 0.0 109.436 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -64.94 -42.95 94.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.303 -0.873 . . . . 0.0 109.244 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.5 m -62.91 -37.82 88.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.415 -0.803 . . . . 0.0 109.936 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.607 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 74.4 m -62.46 -49.41 75.53 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.245 -0.909 . . . . 0.0 109.57 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.97 -46.55 96.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 121.185 -0.947 . . . . 0.0 109.272 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.636 HD21 HE22 ' A' ' 148' ' ' GLN . 39.9 tp -63.39 -39.06 93.47 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.55 -0.719 . . . . 0.0 109.924 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -57.77 -49.45 76.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.151 -0.968 . . . . 0.0 110.098 -179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.467 HD21 HE22 ' A' ' 86' ' ' GLN . 33.4 tp -67.46 -43.02 82.08 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.052 -1.03 . . . . 0.0 109.8 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.429 ' HA ' HD22 ' A' ' 138' ' ' ASN . 92.9 m95 -87.29 1.7 52.44 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.285 -0.884 . . . . 0.0 110.657 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.577 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -53.08 -37.39 61.63 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.998 -1.063 . . . . 0.0 109.482 -179.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -62.87 -25.5 68.32 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.301 -0.875 . . . . 0.0 109.628 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.429 HD22 ' HA ' ' A' ' 135' ' ' TRP . 56.2 m-80 -89.15 -2.93 58.73 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.21 -0.931 . . . . 0.0 110.044 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.4 mm -103.36 143.47 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.215 -0.928 . . . . 0.0 109.162 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 32.0 t -77.83 150.2 34.27 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.289 -0.882 . . . . 0.0 108.783 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.68 -41.25 85.74 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.121 -0.987 . . . . 0.0 109.893 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.0 m -70.35 -45.85 65.32 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.07 -1.019 . . . . 0.0 109.688 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 86.4 p -64.26 -39.94 94.96 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.259 -0.9 . . . . 0.0 109.175 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.95 -39.91 72.32 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.086 -1.009 . . . . 0.0 108.634 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -49.61 -45.63 48.35 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.5 m -63.64 -40.2 96.26 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.428 ' HA ' HH11 ' A' ' 150' ' ' ARG . 35.5 tp -65.68 -38.81 90.32 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.548 -0.72 . . . . 0.0 109.558 179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.636 HE22 HD21 ' A' ' 132' ' ' LEU . 58.2 mm-40 -58.82 -38.32 78.36 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.802 -1.185 . . . . 0.0 107.802 179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -62.03 -41.75 98.44 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.554 -0.717 . . . . 0.0 109.63 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.428 HH11 ' HA ' ' A' ' 147' ' ' LEU . 80.3 mtt85 -58.37 -42.54 87.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.96 -1.087 . . . . 0.0 108.863 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 33.9 mm -64.91 -42.72 95.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 34.1 tttp -58.06 -38.3 76.05 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -58.51 -43.77 89.24 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 77.3 m -64.9 -50.36 66.85 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.274 -0.891 . . . . 0.0 108.868 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 40.3 mttt -60.1 -36.35 77.24 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.291 -0.88 . . . . 0.0 108.832 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 15.8 mt -58.76 -43.04 87.04 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.298 0 O-C-N 121.397 -0.814 . . . . 0.0 110.014 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.844 ' CE2' HD13 ' A' ' 108' ' ' LEU . 69.1 t80 -62.5 -42.51 99.55 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.299 -0.875 . . . . 0.0 108.901 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.57 HD13 ' NE1' ' A' ' 122' ' ' TRP . 72.1 mt -61.74 -40.1 93.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.92 . . . . 0.0 109.37 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.4 m -63.13 -41.46 99.31 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.222 -0.923 . . . . 0.0 109.882 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 165' ' ' GLU . 40.0 mtpt -61.62 -39.71 92.25 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.104 -0.997 . . . . 0.0 109.323 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.538 HD11 ' CE2' ' A' ' 157' ' ' TYR . 8.1 mp -65.15 -36.1 83.18 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.19 -0.944 . . . . 0.0 109.024 179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.1 -37.09 83.76 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.235 -0.916 . . . . 0.0 108.92 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -85.37 -4.41 59.15 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.383 -0.823 . . . . 0.0 109.274 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.56 -0.41 67.91 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.687 -1.365 . . . . 0.0 109.687 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 160' ' ' LYS . 95.5 mt-10 -94.77 147.1 23.69 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.193 -1.18 . . . . 0.0 109.786 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 37.5 mm -116.48 134.69 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.473 -0.767 . . . . 0.0 109.517 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 177' ' ' VAL . . . . . 0.406 ' H ' HG22 ' B' ' 177' ' ' VAL . 0.2 OUTLIER -67.96 153.59 95.04 Favored Pre-proline 0 N--CA 1.489 1.49 0 O-C-N 121.242 -0.911 . . . . 0.0 109.379 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.79 144.18 96.73 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.593 2.195 . . . . 0.0 112.084 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.27 -33.33 69.29 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.258 -0.902 . . . . 0.0 109.323 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 29.5 mm -113.37 136.39 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.455 -0.778 . . . . 0.0 109.271 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -83.42 144.4 29.63 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.121 -0.987 . . . . 0.0 109.518 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -62.02 -30.8 71.21 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.258 -0.901 . . . . 0.0 109.586 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -87.77 145.91 25.89 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.282 -0.886 . . . . 0.0 109.455 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -104.57 151.65 23.37 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.408 -0.807 . . . . 0.0 109.434 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 14.1 m -68.04 -32.72 57.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.253 -0.904 . . . . 0.0 109.593 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -56.98 -35.52 69.28 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.252 -0.905 . . . . 0.0 109.557 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 77.1 t -61.46 -40.7 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.275 -0.891 . . . . 0.0 109.468 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.87 -34.82 73.64 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.063 -1.023 . . . . 0.0 109.724 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -56.91 -48.28 78.61 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.224 -0.923 . . . . 0.0 110.533 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -69.16 -38.12 78.57 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.13 -0.981 . . . . 0.0 109.998 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -61.03 -41.26 96.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.908 -1.12 . . . . 0.0 109.239 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -65.56 -38.04 88.42 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.234 -0.916 . . . . 0.0 109.232 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -61.23 -41.36 96.73 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.284 -0.885 . . . . 0.0 109.087 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -62.02 -41.43 98.09 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.299 -0.876 . . . . 0.0 109.328 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 195' ' ' LEU . . . . . 0.669 HD11 HD22 ' A' ' 53' ' ' LEU . 13.9 tp -59.32 -40.74 87.22 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.325 -0.86 . . . . 0.0 109.226 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.77 94.81 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.166 -0.959 . . . . 0.0 109.372 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -65.06 -35.45 81.18 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.174 -0.954 . . . . 0.0 109.419 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . 0.538 ' HD3' HD21 ' A' ' 53' ' ' LEU . 74.8 ttt180 -62.64 -43.38 98.95 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.229 -0.919 . . . . 0.0 109.342 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . 0.697 HD22 HG21 ' A' ' 32' ' ' VAL . 4.1 tp -61.66 -43.74 98.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.307 -0.871 . . . . 0.0 109.21 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -60.89 -36.65 79.78 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.339 -0.851 . . . . 0.0 109.194 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.56 -37.46 86.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.193 -0.942 . . . . 0.0 108.784 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 202' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 56' ' ' ILE . 14.9 tp -60.63 -38.68 85.58 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.38 -0.825 . . . . 0.0 108.86 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -93.7 -1.21 55.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.311 -0.868 . . . . 0.0 109.409 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 118.054 -1.414 . . . . 0.0 109.574 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.415 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -59.14 -42.26 90.26 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.224 -0.922 . . . . 0.0 109.162 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -63.51 -37.65 88.12 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.193 -0.942 . . . . 0.0 108.981 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -57.09 -39.61 75.36 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.409 ' HB2' HD12 ' A' ' 34' ' ' LEU . . . -65.39 -40.18 93.16 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.18 99.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.361 -0.837 . . . . 0.0 109.196 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.592 ' O ' HG23 ' A' ' 11' ' ' THR . 10.3 tpp180 -60.44 -38.9 85.6 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.306 -0.871 . . . . 0.0 109.296 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.93 -40.62 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.296 -0.877 . . . . 0.0 109.242 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 69.9 t -61.61 -38.1 79.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 C-N-CA 119.474 -0.89 . . . . 0.0 109.192 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.68 96.7 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.203 -0.936 . . . . 0.0 108.966 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 7' ' ' ARG . 2.7 p -69.01 -35.39 76.6 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.309 -0.869 . . . . 0.0 108.918 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.36 -44.47 88.84 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.293 -0.879 . . . . 0.0 109.16 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -63.77 -42.35 97.81 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.282 -0.886 . . . . 0.0 109.161 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.59 -40.93 93.56 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.239 -0.913 . . . . 0.0 109.541 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -61.94 -41.62 98.17 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.339 -0.85 . . . . 0.0 109.374 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -58.68 -38.94 79.29 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.266 -0.896 . . . . 0.0 108.722 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -60.76 -30.56 70.09 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.475 -0.766 . . . . 0.0 109.253 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.4 t -83.44 -14.55 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.35 -0.844 . . . . 0.0 109.771 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.11 25.22 29.58 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.6 mt -95.36 54.7 1.65 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.218 -1.166 . . . . 0.0 109.01 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.0 -30.62 57.6 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.994 -1.242 . . . . 0.0 109.994 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.46 HG21 ' CD2' ' A' ' 92' ' ' TYR . 9.4 mm -58.61 -54.13 37.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.202 -1.175 . . . . 0.0 109.596 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.1 mm -64.87 -38.0 81.64 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.75 -45.45 94.82 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.683 -1.367 . . . . 0.0 109.683 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.749 ' CE2' HD11 ' A' ' 29' ' ' LEU . 64.2 t80 -60.73 -48.62 80.99 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.953 -1.322 . . . . 0.0 109.95 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.665 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 74.5 t80 -66.18 -43.56 86.5 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.152 -0.967 . . . . 0.0 110.5 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.743 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -69.05 -36.42 77.67 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.107 -0.996 . . . . 0.0 110.203 -179.017 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.401 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 91.2 mt-30 -61.73 -40.71 96.06 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.617 -1.302 . . . . 0.0 108.781 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.749 HD11 ' CE2' ' A' ' 25' ' ' TYR . 88.4 mt -61.52 -39.51 91.27 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.159 -0.963 . . . . 0.0 108.47 178.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.606 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 71.5 t80 -66.56 -36.29 82.31 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.152 -0.968 . . . . 0.0 109.077 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.19 -45.94 86.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.271 -0.893 . . . . 0.0 109.955 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.9 p -67.08 -47.26 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.776 -1.202 . . . . 0.0 108.66 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' OE2' ' NH1' ' B' ' 203' ' ' ARG . 97.0 mt-10 -62.19 -33.8 75.22 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.007 -1.058 . . . . 0.0 108.71 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.714 HD13 ' C ' ' A' ' 34' ' ' LEU . 3.2 tm? -60.96 -45.8 93.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.484 -0.76 . . . . 0.0 109.518 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.1 mt -63.67 -46.45 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.143 -0.973 . . . . 0.0 109.806 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.1 mp -63.0 -36.23 82.87 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.302 -0.874 . . . . 0.0 109.326 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.2 p -72.68 -23.36 60.87 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' OE2' ' CZ ' ' A' ' 41' ' ' ARG . 83.5 tt0 -69.74 150.93 46.4 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.782 -0.574 . . . . 0.0 109.683 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.21 150.93 13.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.264 -0.898 . . . . 0.0 109.269 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -57.81 130.68 47.55 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.291 -0.881 . . . . 0.0 110.099 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.485 ' CZ ' ' OE2' ' A' ' 38' ' ' GLU . 10.9 mtt85 -122.09 170.87 9.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.747 -0.596 . . . . 0.0 109.582 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.7 m -57.39 168.07 0.85 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.321 -0.862 . . . . 0.0 110.647 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.832 ' NE2' HG21 ' A' ' 46' ' ' THR . 56.2 tp60 -55.56 -25.45 38.1 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.817 -0.552 . . . . 0.0 110.776 -178.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -50.18 -39.98 45.52 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.866 -1.146 . . . . 0.0 109.298 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -35.11 79.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.046 -1.034 . . . . 0.0 109.02 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.832 HG21 ' NE2' ' A' ' 43' ' ' GLN . 41.1 m -59.34 -42.04 90.58 Favored 'General case' 0 C--N 1.306 -1.294 0 O-C-N 121.314 -0.866 . . . . 0.0 109.255 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.7 95.97 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.21 -0.931 . . . . 0.0 108.755 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 tp -60.81 -39.03 87.42 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.239 -0.913 . . . . 0.0 108.957 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.41 87.27 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.326 -0.859 . . . . 0.0 109.642 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 46' ' ' THR . 71.3 p -62.97 -43.05 99.84 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.063 -1.023 . . . . 0.0 109.495 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.66 -40.63 92.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.323 -0.861 . . . . 0.0 108.869 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.3 -38.21 90.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.25 -0.906 . . . . 0.0 109.0 179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.689 HD22 HD11 ' B' ' 195' ' ' LEU . 31.4 tp -59.33 -41.04 88.17 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.269 -0.894 . . . . 0.0 108.646 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -60.97 -39.64 90.34 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 59' ' ' PHE . 51.8 m -60.32 -39.05 85.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.698 -0.626 . . . . 0.0 109.816 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.633 HG21 HD22 ' B' ' 202' ' ' LEU . 31.7 mm -57.36 -53.05 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.114 -0.991 . . . . 0.0 109.224 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.5 -36.79 84.93 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.58 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.83 -32.47 73.04 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 55' ' ' THR . 87.2 t80 -60.01 -54.46 45.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.266 -0.896 . . . . 0.0 109.441 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -62.67 -42.89 99.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.108 -0.995 . . . . 0.0 109.395 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -82.79 -2.56 54.82 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.355 -0.841 . . . . 0.0 110.084 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.58 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.39 -35.38 18.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.076 -1.015 . . . . 0.0 109.777 -179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 65' ' ' GLY . 86.3 mt -68.72 -36.98 76.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.187 -0.946 . . . . 0.0 109.642 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.0 -5.63 12.61 Favored Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.164 -1.575 . . . . 0.0 109.164 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.404 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 89.93 -7.95 80.74 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.769 -1.332 . . . . 0.0 109.769 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -65.7 -46.49 78.81 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.104 -1.233 . . . . 0.0 109.718 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.5 t -63.61 -35.15 79.58 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.199 -0.938 . . . . 0.0 109.321 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.475 ' OE2' HD21 ' A' ' 76' ' ' LEU . 96.8 mt-10 -63.01 -29.23 70.66 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.446 -0.784 . . . . 0.0 109.893 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -40.56 -37.07 0.66 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.196 -0.94 . . . . 0.0 109.782 -179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -110.41 131.29 55.18 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.403 -0.81 . . . . 0.0 109.039 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 51.59 48.02 23.68 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.105 -0.997 . . . . 0.0 109.002 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.9 t -56.32 -38.5 71.39 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.34 -0.85 . . . . 0.0 110.344 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.82 -43.74 94.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.053 -1.029 . . . . 0.0 110.238 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -66.25 -41.08 90.45 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.043 -1.036 . . . . 0.0 110.343 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -62.37 -45.86 91.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.177 -0.952 . . . . 0.0 110.194 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.475 HD21 ' OE2' ' A' ' 68' ' ' GLU . 85.0 mt -65.53 -39.25 91.56 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.257 -0.902 . . . . 0.0 109.714 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.477 ' O ' ' OG1' ' A' ' 81' ' ' THR . 64.4 m170 -62.05 -45.59 92.88 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.19 -0.944 . . . . 0.0 109.951 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.42 -50.21 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.148 -0.97 . . . . 0.0 110.144 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 94.5 mmm -68.36 -46.59 69.7 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.223 -0.923 . . . . 0.0 110.715 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.588 ' OD1' ' CE1' ' A' ' 84' ' ' HIS . 32.1 t30 -68.56 -43.63 76.22 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.014 -1.054 . . . . 0.0 111.426 -178.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 56.3 m -65.62 -48.34 72.56 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.152 -0.967 . . . . 0.0 111.948 -178.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.541 HD23 ' CG ' ' A' ' 88' ' ' LYS . 14.4 mt -72.36 -34.01 67.67 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.853 -1.154 . . . . 0.0 111.386 -178.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 94.2 mt -78.0 -35.56 20.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.987 -1.07 . . . . 0.0 111.065 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.588 ' CE1' ' OD1' ' A' ' 80' ' ' ASN . 77.7 m80 -89.13 -31.59 17.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.02 -1.05 . . . . 0.0 111.323 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -87.83 105.98 17.78 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.745 -1.222 . . . . 0.0 109.939 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -62.15 -40.11 94.88 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.34 -0.85 . . . . 0.0 109.914 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.56 -40.98 98.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.214 -0.929 . . . . 0.0 109.66 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.541 ' CG ' HD23 ' A' ' 82' ' ' LEU . 5.6 tptm -62.18 -34.34 76.24 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.83 -42.96 66.34 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.323 -0.861 . . . . 0.0 109.592 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -61.37 -48.86 79.32 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.269 -0.895 . . . . 0.0 109.862 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.669 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -66.59 -40.36 86.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.215 -0.928 . . . . 0.0 108.889 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.669 ' N ' HD12 ' A' ' 91' ' ' ILE . 61.1 t80 -61.96 -47.27 85.59 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.231 -0.918 . . . . 0.0 108.557 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.665 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 74.4 mtm -63.9 -37.28 86.82 Favored 'General case' 0 N--CA 1.486 1.367 0 O-C-N 121.324 -0.86 . . . . 0.0 109.34 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.8 mt -61.6 -39.62 91.87 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.016 -1.053 . . . . 0.0 108.825 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -61.62 -44.02 97.77 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.443 -0.786 . . . . 0.0 109.058 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -67.42 -49.46 63.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.365 -0.835 . . . . 0.0 109.343 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 93' ' ' MET . 81.5 p -62.47 -44.31 96.7 Favored 'General case' 0 N--CA 1.485 1.301 0 O-C-N 121.279 -0.888 . . . . 0.0 109.268 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 50.8 ttm -60.64 -47.64 85.32 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.299 -0.875 . . . . 0.0 108.761 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.4 t -65.0 -42.06 94.84 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 104' ' ' LYS . 33.2 tp -64.04 -37.64 88.17 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.486 -0.759 . . . . 0.0 109.337 179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -59.37 -48.53 81.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.378 -0.826 . . . . 0.0 109.607 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -65.98 -46.74 76.95 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.091 -1.006 . . . . 0.0 109.009 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.46 -34.84 78.64 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.399 -0.813 . . . . 0.0 109.074 179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 100' ' ' LEU . 6.1 ttpm? -59.91 -44.33 94.35 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.326 -0.859 . . . . 0.0 109.304 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.2 -43.4 98.92 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.185 -0.947 . . . . 0.0 109.281 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -61.23 -40.73 95.11 Favored 'General case' 0 N--CA 1.486 1.335 0 O-C-N 121.199 -0.938 . . . . 0.0 110.192 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' A' ' 111' ' ' GLY . 27.9 mt-30 -62.05 -40.93 97.43 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.127 -0.983 . . . . 0.0 109.921 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.471 HD13 ' CE2' ' A' ' 157' ' ' TYR . 82.0 mt -64.95 -38.98 92.77 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.01 -1.056 . . . . 0.0 109.467 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -78.6 -53.1 7.54 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.272 -0.893 . . . . 0.0 110.25 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -83.68 -23.02 31.91 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.49 -0.756 . . . . 0.0 110.72 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -101.78 149.44 18.1 Favored Glycine 0 N--CA 1.492 2.428 0 C-N-CA 119.601 -1.285 . . . . 0.0 110.253 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.01 154.08 52.65 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 122.725 2.283 . . . . 0.0 111.806 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.669 ' CH2' HG21 ' A' ' 166' ' ' ILE . 15.1 m-90 -92.3 116.69 29.18 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.073 -1.017 . . . . 0.0 109.635 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 88.0 m-20 -135.02 175.89 9.16 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.284 -0.885 . . . . 0.0 109.062 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.445 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -60.52 -36.2 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.166 -0.959 . . . . 0.0 109.316 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.445 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.7 mtm -60.44 -39.83 88.9 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.31 -0.869 . . . . 0.0 109.195 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.4 mm? -65.61 -37.91 87.95 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.308 -0.87 . . . . 0.0 108.958 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 41.2 mttm -57.87 -42.71 85.11 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.209 -0.932 . . . . 0.0 108.798 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -62.68 -39.47 94.06 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.368 -0.832 . . . . 0.0 109.03 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.9 m -62.67 -39.7 94.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.371 -0.831 . . . . 0.0 109.738 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.94 -42.0 99.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.191 -0.943 . . . . 0.0 109.743 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.754 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 86.5 m95 -63.53 -39.55 94.7 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.184 -0.947 . . . . 0.0 109.577 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.6 m -67.62 -42.77 81.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -0.891 . . . . 0.0 109.969 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 76.0 m -58.93 -47.31 85.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.158 -0.964 . . . . 0.0 109.722 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.93 -39.07 80.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 O-C-N 121.184 -0.948 . . . . 0.0 109.403 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.564 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 91.0 m-20 -60.21 -41.42 93.0 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.277 -0.889 . . . . 0.0 109.727 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.62 -42.24 99.46 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.136 -0.977 . . . . 0.0 109.627 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -72.31 -43.11 64.65 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.244 -0.91 . . . . 0.0 109.516 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.6 p -70.99 -33.13 70.11 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.265 -0.897 . . . . 0.0 110.246 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.606 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 90.2 m -68.14 -50.08 56.89 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.032 -1.043 . . . . 0.0 109.782 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 78.2 mt -66.37 -44.02 91.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.213 -0.929 . . . . 0.0 109.411 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.656 HD21 HE22 ' A' ' 148' ' ' GLN . 38.9 tp -63.09 -40.54 97.94 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.485 -0.76 . . . . 0.0 109.95 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -60.84 -49.33 77.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.183 -0.948 . . . . 0.0 110.278 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 39.1 tp -64.3 -44.75 90.65 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.075 -1.015 . . . . 0.0 109.866 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -87.4 3.51 46.79 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.311 -0.868 . . . . 0.0 110.327 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 132' ' ' LEU . 5.8 tptm -53.43 -36.01 61.07 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.242 -0.911 . . . . 0.0 109.858 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -62.78 -25.41 68.21 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.122 -0.986 . . . . 0.0 109.371 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -89.92 -2.9 58.27 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.193 -0.942 . . . . 0.0 110.099 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.9 mm -104.4 142.08 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.115 -0.991 . . . . 0.0 109.805 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.1 m -77.56 155.42 31.58 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -55.41 -41.57 72.9 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.07 -1.019 . . . . 0.0 109.716 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 26.6 m -72.14 -43.3 64.88 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.936 -1.102 . . . . 0.0 109.211 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.7 m -59.14 -39.32 82.02 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.153 -0.967 . . . . 0.0 108.653 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.9 -38.64 91.83 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 178.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -55.36 -45.54 76.51 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.404 -0.81 . . . . 0.0 109.421 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.5 m -61.35 -46.38 90.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.157 -0.964 . . . . 0.0 109.453 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 37.6 mt -65.79 -39.93 91.44 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.276 -0.89 . . . . 0.0 109.014 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.656 HE22 HD21 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -64.0 -36.21 83.25 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.334 -0.854 . . . . 0.0 109.001 179.481 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -62.19 -38.62 89.81 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.099 -1.0 . . . . 0.0 109.248 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.33 -42.5 98.77 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.061 -1.024 . . . . 0.0 108.339 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.7 -37.56 80.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -57.9 -41.43 82.6 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -58.82 -43.23 90.56 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 88.1 m -64.81 -50.36 67.03 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.287 -0.883 . . . . 0.0 109.077 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -62.39 -37.17 84.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.293 -0.879 . . . . 0.0 109.347 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 11.0 mt -58.5 -47.8 87.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.153 -0.967 . . . . 0.0 109.827 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.594 ' OH ' ' CE2' ' A' ' 113' ' ' TRP . 74.3 t80 -63.2 -40.42 97.44 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.754 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 36.5 tp -59.57 -41.06 89.35 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.2 m -61.84 -37.92 86.3 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.309 -0.869 . . . . 0.0 109.008 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 24.9 mtpp -61.07 -40.28 93.07 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.269 -0.894 . . . . 0.0 108.9 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.67 -35.43 80.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.296 -0.877 . . . . 0.0 109.207 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.59 -37.18 82.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.411 -0.805 . . . . 0.0 109.145 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -81.73 -11.52 59.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.244 -0.91 . . . . 0.0 109.291 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.37 -2.21 74.04 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -94.89 139.61 31.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.254 -1.145 . . . . 0.0 109.65 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.669 HG21 ' CH2' ' A' ' 113' ' ' TRP . 37.9 mm -116.39 134.05 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.451 -0.781 . . . . 0.0 109.389 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 166' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 118.014 -1.437 . . . . 0.0 109.565 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 44.3 t -67.83 135.31 92.19 Favored Pre-proline 0 N--CA 1.489 1.518 0 O-C-N 121.245 -0.909 . . . . 0.0 109.066 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -66.07 145.09 78.18 Favored 'Trans proline' 0 N--CA 1.493 1.444 0 C-N-CA 121.943 1.762 . . . . 0.0 112.154 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -102.09 136.87 41.17 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.19 -0.944 . . . . 0.0 109.575 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 15.9 tt -124.8 138.14 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.479 -0.763 . . . . 0.0 109.373 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -84.57 139.98 31.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.194 -0.941 . . . . 0.0 109.465 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -65.85 146.81 54.3 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.225 -0.922 . . . . 0.0 109.574 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -57.86 -34.69 70.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.172 -0.955 . . . . 0.0 109.338 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.39 145.94 30.95 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.251 -0.906 . . . . 0.0 109.356 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 185' ' ' VAL . . . . . 0.535 HG12 ' H ' ' B' ' 187' ' ' VAL . 24.1 t -105.26 136.96 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.269 -0.894 . . . . 0.0 109.545 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -54.63 -31.8 57.89 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.49 -0.757 . . . . 0.0 109.84 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 187' ' ' VAL . . . . . 0.535 ' H ' HG12 ' B' ' 185' ' ' VAL . 53.2 t -55.64 -43.77 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.111 -0.993 . . . . 0.0 109.684 -179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -60.34 -35.22 75.14 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.843 -1.161 . . . . 0.0 109.57 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -60.17 -46.49 89.5 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.326 -0.859 . . . . 0.0 110.778 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . 0.426 ' H ' ' HG2' ' B' ' 190' ' ' GLU . 12.0 pt-20 -67.86 -40.55 83.63 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.02 -1.05 . . . . 0.0 110.395 -179.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -57.23 -41.55 79.74 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.728 -1.233 . . . . 0.0 109.378 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -65.65 -40.52 92.56 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 121.116 -0.99 . . . . 0.0 109.004 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -62.39 -39.59 93.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.337 -0.852 . . . . 0.0 108.937 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -60.12 -42.1 94.05 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.381 -0.824 . . . . 0.0 109.278 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 195' ' ' LEU . . . . . 0.689 HD11 HD22 ' A' ' 53' ' ' LEU . 49.3 tp -59.64 -42.33 92.51 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.206 -0.934 . . . . 0.0 109.084 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.99 91.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.2 -0.938 . . . . 0.0 109.043 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -65.27 -34.75 79.08 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.359 -0.838 . . . . 0.0 109.162 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -58.96 -43.89 91.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.264 -0.898 . . . . 0.0 109.101 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 2.8 tp -63.0 -42.66 99.9 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.213 -0.929 . . . . 0.0 108.858 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -58.96 -38.45 79.11 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.361 -0.837 . . . . 0.0 108.82 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.35 79.9 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.321 -0.862 . . . . 0.0 108.705 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 202' ' ' LEU . . . . . 0.633 HD22 HG21 ' A' ' 56' ' ' ILE . 4.2 tp -58.99 -39.72 82.68 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.418 -0.801 . . . . 0.0 108.988 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . 0.474 ' NH1' ' OE2' ' A' ' 33' ' ' GLU . 33.7 ptt180 -101.51 3.7 40.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.28 -0.887 . . . . 0.0 109.445 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 CA-C-O 117.991 -1.449 . . . . 0.0 109.515 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.1 83.74 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.136 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -63.38 -38.57 91.65 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.139 -0.976 . . . . 0.0 108.97 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -57.32 -39.63 76.22 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.548 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.66 -39.82 95.29 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.32 95.6 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.337 -0.852 . . . . 0.0 109.151 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' A' ' 11' ' ' THR . 12.4 tpt85 -60.29 -38.87 84.97 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.255 -0.903 . . . . 0.0 109.021 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.53 -39.47 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.281 -0.887 . . . . 0.0 109.007 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.0 t -61.45 -38.36 79.88 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.337 -0.852 . . . . 0.0 108.975 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.67 -45.19 95.09 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.292 -0.963 . . . . 0.0 108.575 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.558 ' CG2' ' NH1' ' A' ' 7' ' ' ARG . 3.8 p -67.93 -35.36 78.29 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.97 -42.42 89.87 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.302 -0.874 . . . . 0.0 108.814 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -62.83 -43.58 98.41 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.255 -0.903 . . . . 0.0 108.933 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -61.34 -42.23 98.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.231 -0.918 . . . . 0.0 109.235 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -62.39 -40.5 96.69 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.337 -0.852 . . . . 0.0 109.206 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.474 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 55.5 t0 -58.75 -38.41 78.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.252 -0.905 . . . . 0.0 108.682 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -60.71 -30.48 69.98 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 18' ' ' VAL . 58.5 t -83.76 -10.22 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.432 -0.792 . . . . 0.0 109.477 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.53 16.86 56.27 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.1 mt -95.75 47.57 1.11 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.316 -1.108 . . . . 0.0 109.088 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.21 -32.24 57.01 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.2 mm -58.54 -50.23 79.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 O-C-N 121.172 -1.193 . . . . 0.0 109.603 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.2 mm -63.13 -42.22 95.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.227 -0.921 . . . . 0.0 109.05 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.551 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.59 -39.35 94.95 Favored Glycine 0 N--CA 1.488 2.162 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.802 ' CE2' HD11 ' A' ' 29' ' ' LEU . 65.2 t80 -62.46 -47.72 82.78 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.149 -1.207 . . . . 0.0 110.408 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.667 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 70.9 t80 -61.11 -45.86 92.96 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.264 -0.897 . . . . 0.0 111.275 -178.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.551 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.9 pp -66.17 -33.41 75.71 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.579 -1.326 . . . . 0.0 109.918 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.489 ' N ' HD12 ' A' ' 27' ' ' LEU . 91.9 mt-30 -59.87 -40.41 88.53 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.624 -1.297 . . . . 0.0 107.895 178.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.802 HD11 ' CE2' ' A' ' 25' ' ' TYR . 86.0 mt -61.77 -38.29 87.49 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.661 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 84.7 t80 -67.32 -36.3 81.18 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.421 -0.799 . . . . 0.0 109.253 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.5 93.08 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.307 -0.871 . . . . 0.0 110.151 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.694 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -65.89 -42.53 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.778 -1.202 . . . . 0.0 108.775 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.6 -34.75 76.18 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.948 -1.095 . . . . 0.0 108.793 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.548 HD23 ' HB2' ' A' ' 5' ' ' ALA . 43.3 tp -64.25 -45.19 89.24 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.323 -0.861 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 84.1 mt -60.27 -46.63 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.08 -1.012 . . . . 0.0 110.111 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -64.44 -33.4 75.78 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.353 -0.842 . . . . 0.0 109.857 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.2 p -71.75 -25.66 62.13 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.077 -1.014 . . . . 0.0 109.73 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -76.22 150.46 37.06 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.358 -0.839 . . . . 0.0 109.931 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.94 151.05 15.46 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.432 -0.792 . . . . 0.0 109.136 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -57.35 140.17 50.93 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.234 -0.916 . . . . 0.0 109.825 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -122.15 170.57 9.75 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.718 -0.614 . . . . 0.0 109.475 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p -57.81 171.42 0.49 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.245 -0.91 . . . . 0.0 109.769 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -55.58 -28.64 56.22 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.466 -0.772 . . . . 0.0 110.722 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.27 -41.68 50.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.799 -1.188 . . . . 0.0 109.412 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 56.3 ttp -64.3 -36.25 83.5 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.03 -1.044 . . . . 0.0 109.017 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.7 m -59.59 -40.91 89.03 Favored 'General case' 0 C--N 1.306 -1.321 0 O-C-N 121.415 -0.803 . . . . 0.0 109.25 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.27 97.91 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.268 -0.895 . . . . 0.0 108.794 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.5 tp -61.23 -39.28 89.7 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.375 -0.828 . . . . 0.0 109.006 179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.49 91.21 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.299 -0.876 . . . . 0.0 109.366 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.1 m -60.7 -42.58 97.45 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.193 -0.942 . . . . 0.0 109.158 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.86 -39.36 91.6 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.261 -0.9 . . . . 0.0 108.964 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 52' ' ' LEU . 30.9 tp -60.55 -40.71 92.6 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.374 -0.829 . . . . 0.0 109.213 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.561 HD22 HD11 ' B' ' 195' ' ' LEU . 42.3 tp -61.08 -39.9 91.68 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.294 -0.879 . . . . 0.0 108.935 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -59.94 -41.28 91.51 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.459 -0.775 . . . . 0.0 108.938 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.407 HG22 ' NE2' ' A' ' 28' ' ' GLN . 42.9 m -60.72 -41.8 95.99 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.512 -0.743 . . . . 0.0 109.672 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.508 HG21 ' CD2' ' B' ' 202' ' ' LEU . 79.7 mt -59.29 -51.54 71.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.209 -0.932 . . . . 0.0 109.182 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.534 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.9 mt-10 -62.54 -36.71 83.47 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -65.24 -34.52 78.55 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -59.38 -54.26 48.7 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.285 -0.884 . . . . 0.0 109.176 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.22 -40.82 97.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.098 -1.001 . . . . 0.0 109.009 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -82.53 -2.42 53.47 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.503 -0.748 . . . . 0.0 109.831 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.0 tt0 -49.11 -34.94 15.06 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.175 -0.953 . . . . 0.0 109.846 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.561 HG23 ' HB2' ' A' ' 67' ' ' SER . 81.9 mt -68.44 -41.2 83.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 O-C-N 121.172 -0.955 . . . . 0.0 109.676 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.25 -5.47 9.23 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.026 -1.63 . . . . 0.0 109.026 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.518 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 90.77 -8.48 79.74 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -69.74 -47.07 64.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.236 -1.155 . . . . 0.0 109.648 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.561 ' HB2' HG23 ' A' ' 63' ' ' ILE . 18.3 m -69.22 -32.45 71.71 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.243 -0.911 . . . . 0.0 108.988 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.544 ' O ' ' CB ' ' A' ' 72' ' ' SER . 84.3 tt0 -57.23 -32.95 67.05 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.553 -0.717 . . . . 0.0 109.92 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.94 -37.91 83.99 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.133 -0.979 . . . . 0.0 109.961 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 71' ' ' ASP . 95.6 mt-10 -97.7 135.34 39.63 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.153 -0.967 . . . . 0.0 108.786 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' GLU . 85.9 m-20 48.88 44.1 21.93 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.544 ' CB ' ' O ' ' A' ' 68' ' ' GLU . 0.7 OUTLIER -58.28 -43.3 87.91 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.636 -0.665 . . . . 0.0 110.564 -178.602 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.585 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 90.6 m-20 -62.87 -48.09 80.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.985 -1.072 . . . . 0.0 110.116 -179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -72.6 -42.85 64.06 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.348 -0.845 . . . . 0.0 110.641 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.2 m -59.5 -46.22 89.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.107 -0.995 . . . . 0.0 110.174 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.406 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 99.1 mt -68.21 -37.95 81.42 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.207 -0.933 . . . . 0.0 109.807 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.585 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 64.8 m170 -61.11 -45.59 94.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.285 -0.884 . . . . 0.0 110.233 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.11 -49.94 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.103 -0.998 . . . . 0.0 110.251 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.435 ' HE3' ' HB3' ' A' ' 79' ' ' MET . 97.2 mmm -67.92 -46.34 71.79 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.072 -1.017 . . . . 0.0 110.233 -179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.591 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 57.8 t-20 -68.4 -44.52 74.9 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.179 -0.951 . . . . 0.0 111.293 -178.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 39.7 m -67.28 -48.12 68.61 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.049 -1.032 . . . . 0.0 112.0 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 71.9 mt -70.82 -33.88 71.14 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.926 -1.109 . . . . 0.0 111.32 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 88.9 mt -79.03 -42.21 23.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 120.885 -1.135 . . . . 0.0 111.072 -179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.591 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 67.4 m80 -75.52 -48.0 24.42 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.133 -0.979 . . . . 0.0 111.312 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -83.1 108.36 16.32 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.834 -1.166 . . . . 0.0 110.114 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.748 HE22 HD21 ' A' ' 134' ' ' LEU . 45.5 tt0 -61.97 -34.84 76.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.454 -0.779 . . . . 0.0 110.001 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.61 -42.13 87.45 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.092 -1.005 . . . . 0.0 109.675 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -63.29 -34.98 78.87 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.82 -42.66 66.75 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.25 -0.906 . . . . 0.0 109.485 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -60.27 -48.44 81.73 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.081 -1.012 . . . . 0.0 109.75 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.735 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -69.9 -41.14 79.5 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.298 -0.876 . . . . 0.0 108.932 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.735 ' N ' HD12 ' A' ' 91' ' ' ILE . 63.7 t80 -62.85 -48.67 78.02 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.25 -0.906 . . . . 0.0 108.656 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.667 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 72.1 mtm -65.77 -37.62 86.84 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.297 -0.877 . . . . 0.0 109.313 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.9 tp -61.4 -40.9 96.05 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.215 -0.928 . . . . 0.0 108.961 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -62.48 -42.27 99.37 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.442 -0.786 . . . . 0.0 109.299 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.546 ' CE2' HD22 ' A' ' 100' ' ' LEU . 67.7 t80 -63.38 -47.13 83.35 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.437 -0.789 . . . . 0.0 109.626 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.721 HG22 HD23 ' A' ' 127' ' ' LEU . 41.9 p -62.68 -43.28 99.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.248 -0.907 . . . . 0.0 109.6 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 59.8 ttp -63.92 -46.84 82.98 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.379 -0.826 . . . . 0.0 109.205 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.0 m -69.24 -42.03 76.19 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.352 -0.843 . . . . 0.0 109.502 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.546 HD22 ' CE2' ' A' ' 96' ' ' PHE . 29.0 tp -67.43 -39.96 85.45 Favored 'General case' 0 C--N 1.305 -1.357 0 O-C-N 121.338 -0.851 . . . . 0.0 110.068 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.65 ' CE2' HD11 ' A' ' 105' ' ' LEU . 76.6 t80 -62.94 -48.39 79.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.27 -0.894 . . . . 0.0 110.642 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -63.79 -47.19 81.9 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.959 -1.088 . . . . 0.0 109.973 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.25 -37.68 88.19 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.258 -0.901 . . . . 0.0 109.37 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.584 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 38.8 tttp -61.74 -42.04 98.44 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.364 -0.835 . . . . 0.0 109.648 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.65 HD11 ' CE2' ' A' ' 101' ' ' TYR . 93.9 mt -59.98 -43.3 95.22 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.102 -0.999 . . . . 0.0 109.101 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -60.11 -37.67 80.71 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.174 -0.954 . . . . 0.0 109.074 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.59 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.3 mt-30 -62.87 -38.33 90.42 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.366 -0.834 . . . . 0.0 109.451 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.457 HD13 ' CE2' ' A' ' 157' ' ' TYR . 63.3 mt -63.71 -39.14 93.56 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.167 -0.958 . . . . 0.0 109.283 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -78.2 -53.12 7.7 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 110.39 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -82.13 -23.03 35.86 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.4 -0.812 . . . . 0.0 110.518 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.61 155.16 17.89 Favored Glycine 0 N--CA 1.493 2.476 0 C-N-CA 119.713 -1.232 . . . . 0.0 110.312 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -68.82 154.3 71.35 Favored 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.941 2.428 . . . . 0.0 111.869 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.588 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 13.0 m-90 -92.23 124.62 36.44 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.149 -0.97 . . . . 0.0 109.656 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.2 m-20 -134.5 166.64 22.42 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.422 -0.799 . . . . 0.0 109.485 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.402 ' H ' HG13 ' A' ' 115' ' ' VAL . 2.9 m -64.17 -31.87 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 121.244 -0.91 . . . . 0.0 109.393 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.8 mtm -59.34 -39.08 82.04 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.327 -0.858 . . . . 0.0 109.31 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.98 -37.72 88.45 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.227 -0.92 . . . . 0.0 109.12 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.575 ' HA ' HD12 ' A' ' 121' ' ' LEU . 20.5 mttp -59.67 -42.14 92.24 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.197 -0.939 . . . . 0.0 109.033 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -62.47 -40.61 97.21 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.335 -0.853 . . . . 0.0 109.235 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.584 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 96.8 p -65.63 -34.19 77.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.463 -0.773 . . . . 0.0 109.421 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 118' ' ' LYS . 34.1 mt -64.78 -42.01 95.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.29 -0.881 . . . . 0.0 109.434 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.706 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 90.8 m95 -63.13 -41.41 99.32 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.072 -1.017 . . . . 0.0 109.269 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.8 m -68.71 -41.14 79.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.294 -0.879 . . . . 0.0 109.643 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 91.6 m -62.32 -49.42 75.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.19 -0.944 . . . . 0.0 109.732 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.75 -41.91 90.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 O-C-N 121.216 -0.928 . . . . 0.0 109.355 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.497 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.3 m-20 -61.18 -39.16 89.11 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.363 -0.836 . . . . 0.0 109.649 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.721 HD23 HG22 ' A' ' 97' ' ' THR . 44.4 tp -61.23 -44.95 96.44 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.238 -0.914 . . . . 0.0 109.452 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.527 ' HZ ' HD23 ' A' ' 147' ' ' LEU . 48.4 t80 -69.12 -43.11 75.08 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.295 -0.878 . . . . 0.0 109.295 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.6 m -62.02 -38.45 88.71 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.366 -0.834 . . . . 0.0 109.822 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.661 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 72.6 m -63.41 -49.3 74.32 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.21 -0.931 . . . . 0.0 109.364 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.63 -43.77 98.28 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 O-C-N 121.188 -0.945 . . . . 0.0 109.289 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.835 HD21 ' NE2' ' A' ' 148' ' ' GLN . 61.7 tp -62.56 -40.23 96.17 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.544 -0.723 . . . . 0.0 110.329 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -62.14 -49.33 76.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.13 -0.981 . . . . 0.0 110.458 -179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.748 HD21 HE22 ' A' ' 86' ' ' GLN . 35.1 tp -65.52 -43.9 88.61 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.036 -1.04 . . . . 0.0 110.374 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.432 ' HA ' HD22 ' A' ' 138' ' ' ASN . 98.5 m95 -86.93 2.39 49.46 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.248 -0.907 . . . . 0.0 110.556 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -37.52 63.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.111 -0.993 . . . . 0.0 109.519 -179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.01 -25.34 65.35 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.248 -0.908 . . . . 0.0 110.024 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.432 HD22 ' HA ' ' A' ' 135' ' ' TRP . 52.3 m-80 -89.07 -5.96 57.47 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.09 -1.006 . . . . 0.0 110.67 -179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 6.5 mt -111.1 147.19 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.227 -0.92 . . . . 0.0 109.902 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 55.4 p -77.13 155.56 32.27 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.421 -0.799 . . . . 0.0 109.538 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -60.07 -40.36 89.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.823 . . . . 0.0 110.158 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 27.7 m -67.13 -45.2 77.86 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.729 -1.232 . . . . 0.0 109.076 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.9 m -59.83 -39.63 85.74 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.91 -38.85 87.19 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -56.04 -44.57 78.94 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.494 -0.754 . . . . 0.0 109.356 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.9 m -61.16 -50.51 72.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.203 -0.936 . . . . 0.0 109.981 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 147' ' ' LEU . 10.3 mp -66.26 -38.72 88.5 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.128 -0.983 . . . . 0.0 109.215 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.835 ' NE2' HD21 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -63.06 -38.83 92.73 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.235 -0.916 . . . . 0.0 109.434 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -62.49 -39.2 92.71 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.948 -1.095 . . . . 0.0 108.905 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.15 -40.32 85.17 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.168 -0.957 . . . . 0.0 108.61 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 38.8 mm -60.96 -40.59 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.361 -0.837 . . . . 0.0 108.854 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -57.49 -41.69 81.21 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.608 ' HA ' HD12 ' A' ' 156' ' ' ILE . 73.6 t80 -57.97 -42.62 85.43 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . 0.423 ' HG ' ' HE1' ' A' ' 101' ' ' TYR . 5.1 m -62.77 -49.96 72.92 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -62.42 -33.83 75.57 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.505 -0.747 . . . . 0.0 109.41 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 153' ' ' TYR . 19.7 mt -57.89 -48.08 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 O-C-N 121.196 -0.94 . . . . 0.0 109.861 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.588 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 54.2 t80 -63.13 -41.0 99.22 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.706 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 48.2 tp -59.91 -40.11 87.72 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.754 -0.591 . . . . 0.0 109.46 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.8 m -61.87 -42.03 98.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 0.0 109.757 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.568 ' HZ1' ' HA2' ' A' ' 167' ' ' GLY . 55.5 mtmt -61.5 -40.56 95.02 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.112 -0.993 . . . . 0.0 109.228 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.437 HD11 ' CE2' ' A' ' 157' ' ' TYR . 10.3 mp -66.52 -35.16 79.56 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.265 -0.897 . . . . 0.0 109.087 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.48 -36.83 81.56 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.286 -0.884 . . . . 0.0 109.073 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -81.66 -12.02 58.85 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.342 -0.849 . . . . 0.0 109.264 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.11 -3.91 73.73 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -95.09 144.05 26.05 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.225 -1.162 . . . . 0.0 109.705 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 39.4 mm -117.31 134.99 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.491 -0.755 . . . . 0.0 109.425 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . 0.568 ' HA2' ' HZ1' ' A' ' 160' ' ' LYS . . . . . . . . 0 N--CA 1.49 2.282 0 CA-C-O 117.976 -1.458 . . . . 0.0 109.502 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 177' ' ' VAL . . . . . 0.415 ' H ' HG23 ' B' ' 177' ' ' VAL . 2.3 t -67.94 135.62 91.98 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.336 -0.853 . . . . 0.0 109.075 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . 0.489 ' O ' ' O ' ' B' ' 179' ' ' GLU . 26.1 Cg_endo -65.89 146.96 84.45 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.895 1.73 . . . . 0.0 112.215 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . 0.489 ' O ' ' O ' ' B' ' 178' ' ' PRO . 84.4 tt0 41.98 94.71 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.353 -0.842 . . . . 0.0 109.7 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 15.3 tt -121.79 136.14 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.519 -0.738 . . . . 0.0 109.349 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -88.44 141.56 28.44 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.203 -0.935 . . . . 0.0 109.599 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -63.94 -26.55 68.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.286 -0.884 . . . . 0.0 109.378 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -56.91 -32.77 66.26 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.291 -0.88 . . . . 0.0 109.526 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 48.5 tp10 -54.74 -34.52 62.63 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.199 -0.938 . . . . 0.0 109.395 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 42.4 t -118.24 137.27 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.422 -0.798 . . . . 0.0 109.481 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -100.79 156.21 17.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.266 -0.896 . . . . 0.0 109.442 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 62.3 t -61.59 -42.19 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.322 -0.861 . . . . 0.0 109.556 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -60.7 -34.74 74.82 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.974 -1.079 . . . . 0.0 109.599 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -58.17 -46.97 84.8 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.314 -0.866 . . . . 0.0 110.668 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.97 -42.04 77.13 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.11 -0.993 . . . . 0.0 110.328 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -58.34 -41.69 85.18 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.743 -1.223 . . . . 0.0 109.498 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.3 -38.72 91.11 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.123 -0.986 . . . . 0.0 109.207 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -61.03 -40.66 94.43 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.283 -0.885 . . . . 0.0 109.036 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -61.41 -42.18 98.32 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.323 -0.861 . . . . 0.0 109.358 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 195' ' ' LEU . . . . . 0.561 HD11 HD22 ' A' ' 53' ' ' LEU . 36.1 tp -59.68 -40.04 86.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.235 -0.916 . . . . 0.0 109.268 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.08 97.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.334 -0.854 . . . . 0.0 109.389 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -65.17 -35.67 81.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.239 -0.913 . . . . 0.0 109.244 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . 0.534 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 79.3 ttt180 -60.82 -42.98 98.76 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.276 -0.89 . . . . 0.0 109.158 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . 0.694 HD22 HG21 ' A' ' 32' ' ' VAL . 2.9 tp -62.42 -43.19 99.4 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.205 -0.934 . . . . 0.0 109.144 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -59.18 -36.78 75.94 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.349 -0.845 . . . . 0.0 108.921 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.7 -36.51 83.84 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.311 -0.868 . . . . 0.0 108.683 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 202' ' ' LEU . . . . . 0.508 ' CD2' HG21 ' A' ' 56' ' ' ILE . 9.6 tp -59.98 -39.02 84.26 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.404 -0.81 . . . . 0.0 108.879 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -87.4 -10.5 51.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.347 -0.846 . . . . 0.0 109.251 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 CA-C-O 117.995 -1.447 . . . . 0.0 109.545 179.847 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.68 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 87.8 mtp . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.386 0.612 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.674 ' HB1' ' CE ' ' A' ' 45' ' ' MET . . . -57.39 -37.74 73.17 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.101 -0.999 . . . . 0.0 108.896 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.9 p -64.25 -37.5 87.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.272 -0.892 . . . . 0.0 109.178 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.68 ' ND2' ' N ' ' A' ' 1' ' ' MET . 93.3 m-20 -58.58 -41.69 86.31 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.996 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.21 -40.15 96.65 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.3 -40.56 96.68 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.507 -0.745 . . . . 0.0 109.361 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.432 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.1 -41.71 93.13 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.172 -0.955 . . . . 0.0 108.727 179.758 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.442 ' CG1' HD13 ' A' ' 27' ' ' LEU . 53.7 t -61.05 -37.04 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.431 -0.793 . . . . 0.0 109.013 179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.4 t -60.39 -37.96 76.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.63 98.88 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.6 p -68.61 -35.48 77.38 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.669 ' CB ' HE21 ' A' ' 28' ' ' GLN . . . -57.15 -45.45 83.59 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -62.59 -39.28 93.22 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 18' ' ' VAL . 56.0 t0 -59.5 -41.5 90.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.339 -0.851 . . . . 0.0 109.562 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -62.96 -40.52 97.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.175 -0.953 . . . . 0.0 109.535 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.486 ' OD1' ' OE2' ' A' ' 62' ' ' GLU . 61.0 t0 -58.57 -39.92 81.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.173 -0.954 . . . . 0.0 108.853 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -62.14 -31.26 71.71 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.361 -0.837 . . . . 0.0 109.269 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 14' ' ' ASP . 15.1 t -84.01 -14.22 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.297 -0.877 . . . . 0.0 109.643 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.64 12.38 62.68 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 20' ' ' LEU . 11.0 mp -95.72 54.62 1.56 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.298 -1.119 . . . . 0.0 109.042 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.08 -29.14 55.29 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mm -58.32 -50.1 79.69 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.147 -1.207 . . . . 0.0 109.545 -179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -62.8 -44.94 99.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.212 -0.93 . . . . 0.0 108.814 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.45 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.62 -38.11 93.25 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.416 -1.473 . . . . 0.0 109.416 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.787 ' CE2' HD11 ' A' ' 29' ' ' LEU . 72.9 t80 -60.74 -47.95 84.01 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.096 -1.238 . . . . 0.0 110.622 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' SD ' ' A' ' 93' ' ' MET . 77.0 t80 -64.31 -47.18 80.42 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.041 -1.037 . . . . 0.0 111.497 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 12' ' ' ALA . 3.3 pp -70.65 -34.13 71.72 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.668 -1.27 . . . . 0.0 110.363 -178.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.669 HE21 ' CB ' ' A' ' 12' ' ' ALA . 85.8 mm-40 -60.31 -41.14 92.85 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.578 -1.326 . . . . 0.0 108.55 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.787 HD11 ' CE2' ' A' ' 25' ' ' TYR . 74.5 mt -62.26 -40.54 96.55 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 178.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.634 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 74.6 t80 -66.43 -35.99 81.68 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.33 -0.857 . . . . 0.0 109.267 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.78 90.38 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.319 -0.863 . . . . 0.0 110.105 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.695 HG21 HD22 ' B' ' 199' ' ' LEU . 1.8 p -67.27 -43.81 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.91 -1.119 . . . . 0.0 108.996 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -60.76 -34.4 74.39 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.017 -1.052 . . . . 0.0 108.559 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.996 HD23 ' HB2' ' A' ' 5' ' ' ALA . 35.2 tp -63.05 -47.53 82.58 Favored 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.417 -0.802 . . . . 0.0 109.901 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.7 mt -59.32 -44.96 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.183 -0.948 . . . . 0.0 110.424 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.441 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.0 mp -62.56 -34.43 76.93 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.305 -0.872 . . . . 0.0 110.022 -179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.4 p -71.98 -25.88 62.03 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.981 -1.074 . . . . 0.0 109.718 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.59 ' OE1' ' NH1' ' A' ' 41' ' ' ARG . 98.8 mt-10 -68.08 150.17 48.74 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.324 -0.86 . . . . 0.0 110.248 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -57.18 151.13 16.13 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.443 -0.786 . . . . 0.0 109.124 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -57.54 136.39 56.73 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.291 -0.88 . . . . 0.0 110.113 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.59 ' NH1' ' OE1' ' A' ' 38' ' ' GLU . 78.8 mtt85 -122.38 171.45 9.06 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.1 m -56.7 167.42 0.75 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.224 -0.922 . . . . 0.0 109.96 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -55.6 -33.35 63.88 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.486 -0.759 . . . . 0.0 111.017 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.51 -43.13 55.67 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.811 -1.181 . . . . 0.0 109.202 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.674 ' CE ' ' HB1' ' A' ' 2' ' ' ALA . 6.6 tpt -65.26 -38.87 91.63 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.199 -0.938 . . . . 0.0 108.693 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.58 HG21 ' OE2' ' B' ' 192' ' ' GLU . 33.1 m -59.93 -39.94 87.22 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.482 -0.761 . . . . 0.0 109.269 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.7 98.28 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.338 -0.851 . . . . 0.0 108.749 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.506 HD23 ' CE ' ' A' ' 45' ' ' MET . 32.2 tp -61.36 -39.9 92.31 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.326 -0.859 . . . . 0.0 108.999 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.31 90.56 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.284 -0.885 . . . . 0.0 109.324 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.7 m -60.74 -41.29 95.09 Favored 'General case' 0 C--N 1.306 -1.317 0 O-C-N 121.224 -0.922 . . . . 0.0 109.183 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -63.2 -39.22 94.01 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.272 -0.893 . . . . 0.0 109.415 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.6 tp -59.99 -44.61 94.39 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.297 -0.877 . . . . 0.0 109.576 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.814 HD12 HD12 ' A' ' 56' ' ' ILE . 40.3 tp -61.65 -37.91 85.75 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.165 -0.959 . . . . 0.0 108.603 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -59.48 -38.55 81.14 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.282 -1.006 . . . . 0.0 108.282 179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 59' ' ' PHE . 44.7 m -60.13 -42.32 94.54 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.814 HD12 HD12 ' A' ' 53' ' ' LEU . 82.1 mt -57.52 -52.87 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.205 -0.935 . . . . 0.0 108.687 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -61.05 -36.8 80.54 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.9 -32.53 73.85 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' THR . 76.9 t80 -58.63 -51.09 71.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.395 -0.816 . . . . 0.0 108.88 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.445 ' HE2' HD11 ' B' ' 202' ' ' LEU . 13.5 mttp -61.04 -38.72 87.15 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.179 -0.951 . . . . 0.0 108.829 179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -81.74 -1.44 47.11 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.5 -0.75 . . . . 0.0 109.496 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.486 ' OE2' ' OD1' ' A' ' 16' ' ' ASP . 87.7 tt0 -48.54 -33.24 9.26 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.406 -0.809 . . . . 0.0 110.236 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.932 HD11 ' SD ' ' A' ' 79' ' ' MET . 76.6 mt -67.52 -40.92 85.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 O-C-N 120.985 -1.072 . . . . 0.0 109.721 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.61 -0.33 35.51 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.436 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 94.17 -2.9 69.12 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.714 -1.354 . . . . 0.0 109.714 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.34 -46.73 82.2 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.163 -1.198 . . . . 0.0 109.781 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 70' ' ' GLU . 14.8 m -65.65 -33.05 74.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.164 -0.96 . . . . 0.0 108.848 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.95 -28.24 68.83 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.604 -0.685 . . . . 0.0 109.615 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.24 95.84 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.926 -1.109 . . . . 0.0 110.066 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.4 mt-10 -134.87 145.28 48.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.308 -0.87 . . . . 0.0 110.005 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 48.76 42.33 19.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.224 -0.923 . . . . 0.0 109.233 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 76.7 p -64.04 -37.51 87.71 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.386 -0.821 . . . . 0.0 110.278 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.41 -43.39 98.94 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.964 -1.085 . . . . 0.0 109.755 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -68.73 -47.57 65.99 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.274 -0.891 . . . . 0.0 110.588 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.4 m -62.97 -44.69 95.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.093 -1.005 . . . . 0.0 110.054 -179.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.3 -39.83 81.93 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.315 -0.865 . . . . 0.0 110.278 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -61.3 -45.28 95.11 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.222 -0.924 . . . . 0.0 110.442 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 72.0 t -67.35 -49.41 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.056 -1.028 . . . . 0.0 110.193 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.932 ' SD ' HD11 ' A' ' 63' ' ' ILE . 89.1 mtp -67.71 -46.49 72.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.088 -1.007 . . . . 0.0 110.636 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.516 ' O ' ' CG ' ' A' ' 84' ' ' HIS . 79.8 m-20 -66.54 -40.93 89.35 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.127 -0.983 . . . . 0.0 110.771 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.5 m -70.42 -49.16 51.68 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.179 -0.951 . . . . 0.0 111.45 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 78.3 mt -71.74 -34.33 69.42 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.923 -1.111 . . . . 0.0 111.114 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.9 mt -79.25 -41.81 23.06 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 120.944 -1.097 . . . . 0.0 110.859 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 80' ' ' ASN . 6.9 m-70 -67.6 -48.28 67.28 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.026 -1.046 . . . . 0.0 111.006 -178.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -88.02 113.5 23.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.064 -1.022 . . . . 0.0 110.249 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -61.64 -37.1 82.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.36 -0.838 . . . . 0.0 110.031 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.38 -41.84 94.62 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.072 -1.017 . . . . 0.0 109.636 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -62.2 -33.04 73.8 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.162 -0.961 . . . . 0.0 108.673 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.6 -42.46 74.39 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.33 -0.856 . . . . 0.0 109.7 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.8 tttt -66.18 -48.13 71.69 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.922 . . . . 0.0 110.632 -179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.82 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -63.89 -45.21 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.809 -1.182 . . . . 0.0 108.853 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.82 ' N ' HD12 ' A' ' 91' ' ' ILE . 67.0 t80 -64.69 -45.14 87.91 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.528 ' SD ' ' CD2' ' A' ' 26' ' ' TYR . 27.5 ttp -68.23 -42.32 79.9 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.577 -0.702 . . . . 0.0 109.914 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.5 tp -61.6 -40.67 95.63 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.142 -0.974 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -60.69 -48.33 82.27 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.198 -0.939 . . . . 0.0 109.506 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -70.88 -45.45 64.34 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.411 -0.806 . . . . 0.0 109.329 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 18.2 m -57.46 -43.51 84.07 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.439 -0.788 . . . . 0.0 109.788 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 91.4 mmm -66.98 -43.25 83.51 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.069 -1.019 . . . . 0.0 109.491 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.7 p -67.79 -36.4 80.38 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.273 -0.892 . . . . 0.0 109.083 179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 31.5 tp -63.63 -42.02 98.2 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.427 -0.796 . . . . 0.0 109.227 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.621 ' CE2' HD11 ' A' ' 105' ' ' LEU . 80.0 t80 -60.88 -43.59 98.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.483 -0.76 . . . . 0.0 109.575 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -58.71 -41.08 85.48 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.281 -0.887 . . . . 0.0 109.578 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.67 -39.23 93.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.401 -0.812 . . . . 0.0 109.715 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -61.15 -41.41 96.7 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.103 -0.998 . . . . 0.0 109.397 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.621 HD11 ' CE2' ' A' ' 101' ' ' TYR . 79.0 mt -60.24 -45.05 94.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.212 -0.93 . . . . 0.0 109.402 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -60.85 -39.29 88.57 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.15 -0.969 . . . . 0.0 109.717 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.579 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.6 mt-30 -61.76 -39.37 91.4 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.215 -0.928 . . . . 0.0 109.986 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 157' ' ' TYR . 78.1 mt -63.7 -44.28 94.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.008 -1.057 . . . . 0.0 109.553 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -79.02 -52.73 7.83 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.261 -0.899 . . . . 0.0 110.142 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -77.73 -23.33 49.4 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.371 -0.831 . . . . 0.0 110.337 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -112.56 155.46 16.24 Favored Glycine 0 N--CA 1.495 2.581 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -68.11 154.15 73.16 Favored 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.876 2.384 . . . . 0.0 111.844 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.571 ' NE1' ' OH ' ' A' ' 157' ' ' TYR . 30.1 m-90 -87.1 120.86 28.82 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.075 -1.016 . . . . 0.0 109.784 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.4 m-20 -134.61 166.76 22.17 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.343 -0.848 . . . . 0.0 109.28 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.4 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.5 m -64.04 -32.28 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.243 -0.911 . . . . 0.0 109.372 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.4 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.8 mtm -59.79 -41.5 91.29 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.303 -0.873 . . . . 0.0 109.454 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 67.2 mt -66.06 -37.02 84.77 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.246 -0.909 . . . . 0.0 109.178 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.54 ' HE2' HD12 ' A' ' 161' ' ' LEU . 54.8 mttt -57.79 -44.32 86.2 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.16 -0.963 . . . . 0.0 109.056 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -64.17 -40.05 95.29 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.416 -0.803 . . . . 0.0 109.482 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.5 m -61.79 -39.43 91.68 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.311 -0.868 . . . . 0.0 109.408 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.583 HD23 HD13 ' A' ' 158' ' ' LEU . 23.9 tp -63.63 -41.77 98.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.404 -0.81 . . . . 0.0 109.419 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.418 ' CE2' HD21 ' A' ' 158' ' ' LEU . 71.2 m95 -59.83 -39.71 86.01 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.131 -0.981 . . . . 0.0 109.493 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.7 m -63.35 -44.05 95.94 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.241 -0.912 . . . . 0.0 109.585 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 78.3 m -61.31 -46.97 88.09 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.175 -0.953 . . . . 0.0 109.454 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.19 -37.84 74.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.179 -0.951 . . . . 0.0 108.926 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -58.59 -39.9 81.7 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.271 -0.893 . . . . 0.0 108.955 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.53 -42.42 99.51 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.308 -0.87 . . . . 0.0 109.351 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -67.29 -42.72 83.3 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.146 -0.971 . . . . 0.0 109.827 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.436 ' O ' ' CB ' ' A' ' 133' ' ' HIS . 22.9 t -63.67 -43.44 96.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.228 -0.92 . . . . 0.0 110.059 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.634 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 60.2 m -68.31 -49.54 59.71 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.028 -1.045 . . . . 0.0 110.234 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 93.7 mt -65.97 -50.34 70.46 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.204 -0.935 . . . . 0.0 110.403 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.696 HD21 HE22 ' A' ' 148' ' ' GLN . 41.0 tp -65.51 -42.04 92.49 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.35 -0.844 . . . . 0.0 110.419 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . 0.436 ' CB ' ' O ' ' A' ' 129' ' ' SER . 22.7 t-80 -61.07 -49.58 76.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.089 -1.007 . . . . 0.0 110.477 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 134' ' ' LEU . 34.8 tp -64.99 -43.54 92.24 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.05 -1.031 . . . . 0.0 109.728 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.407 ' HA ' HD22 ' A' ' 138' ' ' ASN . 86.7 m95 -87.21 0.92 54.6 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.4 -0.812 . . . . 0.0 110.354 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.52 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -52.26 -38.46 58.27 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.129 -0.982 . . . . 0.0 109.998 -179.416 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.84 -25.12 68.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.152 -0.967 . . . . 0.0 109.48 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' A' ' 135' ' ' TRP . 51.8 m-80 -89.57 -4.53 57.82 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.231 -0.918 . . . . 0.0 110.21 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.2 mm -104.57 145.99 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.15 -0.969 . . . . 0.0 109.206 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 55.7 p -77.4 155.54 31.77 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.233 -0.917 . . . . 0.0 109.139 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.51 -37.97 73.86 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.231 -0.918 . . . . 0.0 109.717 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.0 m -74.0 -45.25 51.09 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.89 -1.131 . . . . 0.0 109.502 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.3 m -63.81 -45.51 89.32 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.272 -0.892 . . . . 0.0 109.646 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.584 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.7 OUTLIER -62.04 -39.16 91.38 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.128 -0.982 . . . . 0.0 108.477 179.387 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . 0.426 ' N ' ' CG2' ' A' ' 144' ' ' THR . 0.3 OUTLIER -56.48 -42.37 78.14 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.348 -0.845 . . . . 0.0 109.063 179.677 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.1 m -61.53 -44.79 96.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.3 -0.875 . . . . 0.0 109.675 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 147' ' ' LEU . 7.0 mp -62.37 -38.95 91.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.141 -0.975 . . . . 0.0 108.695 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.696 HE22 HD21 ' A' ' 132' ' ' LEU . 0.2 OUTLIER -62.2 -36.82 83.09 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.342 -0.849 . . . . 0.0 109.058 179.3 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -62.27 -42.03 98.99 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.281 -0.887 . . . . 0.0 109.713 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -62.71 -42.45 99.65 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.088 -1.007 . . . . 0.0 108.976 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.505 ' O ' ' SG ' ' A' ' 154' ' ' CYS . 89.1 mt -65.23 -40.67 89.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -58.55 -39.94 81.65 Favored 'General case' 0 C--N 1.304 -1.405 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.568 ' HA ' HD12 ' A' ' 156' ' ' ILE . 77.0 t80 -58.12 -42.73 86.38 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . 0.681 ' SG ' ' N ' ' A' ' 155' ' ' LYS . 1.6 p -64.68 -48.76 73.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.256 -0.903 . . . . 0.0 108.724 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . 0.681 ' N ' ' SG ' ' A' ' 154' ' ' CYS . 74.9 mttt -61.75 -35.07 77.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.235 -0.916 . . . . 0.0 109.043 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 153' ' ' TYR . 21.3 mt -58.33 -48.52 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.3 0 O-C-N 121.288 -0.882 . . . . 0.0 109.731 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.571 ' OH ' ' NE1' ' A' ' 113' ' ' TRP . 58.8 t80 -63.66 -40.91 98.02 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.583 HD13 HD23 ' A' ' 121' ' ' LEU . 30.6 tp -60.24 -40.43 90.24 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.64 -0.663 . . . . 0.0 109.22 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.3 t -60.46 -39.58 88.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.21 -0.931 . . . . 0.0 108.677 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.541 ' NZ ' ' OXT' ' A' ' 167' ' ' GLY . 15.8 mtpt -61.51 -37.37 83.45 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.54 HD12 ' HE2' ' A' ' 118' ' ' LYS . 3.1 mm? -61.88 -38.16 87.28 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.53 86.91 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.425 -0.797 . . . . 0.0 109.111 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -81.77 -12.09 58.72 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.303 -0.873 . . . . 0.0 109.37 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.61 3.61 77.44 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -94.73 145.71 24.68 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.212 -1.169 . . . . 0.0 109.69 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.489 ' O ' ' OXT' ' A' ' 167' ' ' GLY . 41.6 mm -118.42 134.18 62.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.481 -0.762 . . . . 0.0 109.456 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . 0.541 ' OXT' ' NZ ' ' A' ' 160' ' ' LYS . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 117.91 -1.494 . . . . 0.0 109.549 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.278 0.561 . . . . 0.0 109.49 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 1.1 t -67.84 143.71 96.72 Favored Pre-proline 0 N--CA 1.491 1.589 0 O-C-N 121.27 -0.894 . . . . 0.0 108.96 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -59.58 139.11 87.53 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.1 1.867 . . . . 0.0 112.237 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . 0.491 ' O ' ' O ' ' B' ' 182' ' ' ALA . 97.1 mt-10 -65.89 -27.63 68.35 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.452 -0.78 . . . . 0.0 110.101 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 34.7 mm -51.61 -43.93 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.122 -0.986 . . . . 0.0 109.98 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -59.35 -33.88 71.69 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.041 -1.037 . . . . 0.0 109.662 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 182' ' ' ALA . . . . . 0.491 ' O ' ' O ' ' B' ' 179' ' ' GLU . . . -101.23 147.74 25.92 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.251 -0.905 . . . . 0.0 109.545 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -83.33 141.64 31.65 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.148 -0.97 . . . . 0.0 109.444 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -58.61 143.18 47.17 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.231 -0.918 . . . . 0.0 109.556 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 185' ' ' VAL . . . . . 0.531 HG13 ' N ' ' B' ' 186' ' ' ASN . 13.8 p -150.66 -41.71 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 O-C-N 121.194 -0.941 . . . . 0.0 109.365 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 186' ' ' ASN . . . . . 0.531 ' N ' HG13 ' B' ' 185' ' ' VAL . 86.0 m-20 -55.42 -32.12 62.44 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.346 -0.846 . . . . 0.0 109.521 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 53.5 t -57.92 -41.61 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -0.906 . . . . 0.0 109.973 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.652 ' OD1' ' N ' ' B' ' 189' ' ' ASP . 40.4 p30 -64.05 -27.05 68.85 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.857 -1.152 . . . . 0.0 109.578 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 189' ' ' ASP . . . . . 0.652 ' N ' ' OD1' ' B' ' 188' ' ' ASP . 39.1 t0 -61.16 -47.4 86.37 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.156 -0.965 . . . . 0.0 109.92 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.53 -42.77 74.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.307 -0.871 . . . . 0.0 110.201 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -57.93 -43.16 86.14 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.809 -1.182 . . . . 0.0 109.708 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 192' ' ' GLU . . . . . 0.58 ' OE2' HG21 ' A' ' 46' ' ' THR . 98.7 mt-10 -65.69 -38.35 88.99 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.14 -0.975 . . . . 0.0 109.135 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -61.75 -40.6 95.69 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.23 -0.919 . . . . 0.0 109.073 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -61.3 -42.14 98.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.333 -0.854 . . . . 0.0 109.381 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 195' ' ' LEU . . . . . 0.655 HD11 HD23 ' A' ' 53' ' ' LEU . 22.8 tp -59.22 -43.24 92.33 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.261 -0.899 . . . . 0.0 109.153 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.41 -40.27 95.47 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.389 -0.82 . . . . 0.0 109.028 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.12 -35.29 80.65 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.348 -0.845 . . . . 0.0 109.091 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -60.07 -44.15 94.96 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.329 -0.857 . . . . 0.0 109.093 179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . 0.695 HD22 HG21 ' A' ' 32' ' ' VAL . 8.1 tp -63.27 -43.01 99.16 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.194 -0.942 . . . . 0.0 109.21 179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -59.02 -36.77 75.54 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.324 -0.86 . . . . 0.0 109.356 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.64 89.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.148 -0.97 . . . . 0.0 108.608 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 202' ' ' LEU . . . . . 0.445 HD11 ' HE2' ' A' ' 60' ' ' LYS . 13.7 tp -61.48 -38.49 87.47 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.526 -0.733 . . . . 0.0 109.197 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -87.7 -7.27 57.6 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.41 -0.806 . . . . 0.0 109.454 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 CA-C-O 117.911 -1.494 . . . . 0.0 109.531 179.912 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.1 mtp . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.314 0.578 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.19 83.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.214 -0.929 . . . . 0.0 109.192 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.9 p -64.47 -34.92 79.33 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.156 -0.965 . . . . 0.0 108.947 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -58.94 -42.36 89.6 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.795 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.91 -39.75 94.89 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.54 -42.17 95.96 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.414 -0.804 . . . . 0.0 109.226 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -41.53 93.26 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 38.3 t -60.48 -37.15 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.461 -0.775 . . . . 0.0 109.045 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.83 -37.81 77.4 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.461 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.73 98.44 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.1 p -68.94 -33.42 73.69 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.403 -0.811 . . . . 0.0 108.822 179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.566 ' CB ' HE21 ' A' ' 28' ' ' GLN . . . -58.92 -44.96 91.39 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.339 -0.851 . . . . 0.0 109.075 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -63.43 -44.7 93.79 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.242 -0.911 . . . . 0.0 108.993 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -61.79 -40.27 94.6 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.387 -0.821 . . . . 0.0 109.168 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -62.01 -41.71 98.36 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.463 -0.773 . . . . 0.0 109.244 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -58.8 -38.6 78.94 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.279 -0.888 . . . . 0.0 108.77 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -60.46 -29.34 68.98 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' ' 18' ' ' VAL . 59.1 t -83.52 -10.95 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.413 -0.804 . . . . 0.0 109.61 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.4 18.22 53.23 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.8 mt -95.7 54.23 1.52 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.283 -1.127 . . . . 0.0 109.119 179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.07 -34.44 66.23 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 110.114 -1.194 . . . . 0.0 110.114 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.412 ' N ' HD13 ' A' ' 22' ' ' ILE . 9.3 mm -61.33 -51.64 70.65 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 O-C-N 121.124 -1.221 . . . . 0.0 109.756 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.2 mm -64.88 -44.14 96.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.31 -0.868 . . . . 0.0 109.304 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.533 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.18 -38.91 93.83 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.89 ' CE2' HD11 ' A' ' 29' ' ' LEU . 72.8 t80 -63.96 -47.43 80.47 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.041 -1.27 . . . . 0.0 110.765 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.655 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 54.0 t80 -60.59 -46.62 89.57 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.195 -0.941 . . . . 0.0 111.455 -178.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.533 HD21 ' HA2' ' A' ' 24' ' ' GLY . 2.2 pp -67.56 -34.13 76.44 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.717 -1.239 . . . . 0.0 110.232 -178.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.772 ' OE1' HD11 ' A' ' 52' ' ' LEU . 91.0 mm-40 -60.08 -39.99 88.03 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.601 -1.312 . . . . 0.0 108.215 178.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.89 HD11 ' CE2' ' A' ' 25' ' ' TYR . 90.6 mt -61.93 -39.19 91.21 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.657 ' CD1' ' SG ' ' A' ' 130' ' ' CYS . 87.6 t80 -64.82 -38.29 90.49 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.51 -0.744 . . . . 0.0 109.848 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.3 -45.91 92.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.191 -0.943 . . . . 0.0 110.106 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.618 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -66.88 -44.64 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 120.927 -1.108 . . . . 0.0 109.266 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.61 -34.14 73.8 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.047 -1.033 . . . . 0.0 108.746 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.795 HD23 ' HB2' ' A' ' 5' ' ' ALA . 22.3 tp -63.88 -42.68 97.42 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.281 -0.887 . . . . 0.0 109.418 179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.11 -47.28 93.26 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.267 -0.895 . . . . 0.0 109.9 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.9 mp -62.8 -35.4 79.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.195 -0.941 . . . . 0.0 109.261 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.9 t -84.26 -0.75 53.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.256 -0.902 . . . . 0.0 108.794 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.445 ' HG2' ' HE ' ' A' ' 41' ' ' ARG . 49.0 tp10 -86.29 150.77 24.12 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.612 -0.68 . . . . 0.0 109.822 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -55.98 151.46 11.82 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.327 -0.858 . . . . 0.0 109.146 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -57.84 129.52 42.27 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.238 -0.914 . . . . 0.0 110.263 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.445 ' HE ' ' HG2' ' A' ' 38' ' ' GLU . 95.5 mtt-85 -122.07 170.63 9.66 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 54.3 p -57.76 163.57 2.52 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.198 -0.939 . . . . 0.0 109.749 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -57.6 -27.65 62.92 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.642 -0.661 . . . . 0.0 110.89 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -52.99 -45.39 67.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.786 -1.196 . . . . 0.0 109.799 -178.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 50.0 tpp -68.36 -36.93 79.96 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.95 -1.094 . . . . 0.0 108.921 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.1 m -59.67 -40.94 89.46 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.413 -0.804 . . . . 0.0 109.13 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.56 97.91 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.257 -0.902 . . . . 0.0 108.826 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.2 tp -60.11 -39.26 85.58 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.346 -0.847 . . . . 0.0 109.201 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.86 92.66 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.347 -0.846 . . . . 0.0 109.25 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 m -60.43 -41.65 94.45 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.217 -0.927 . . . . 0.0 108.952 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -61.86 -38.08 86.91 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.349 -0.845 . . . . 0.0 108.877 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.772 HD11 ' OE1' ' A' ' 28' ' ' GLN . 32.9 tp -59.79 -42.85 94.3 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.289 -0.882 . . . . 0.0 109.261 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.451 HD12 HD12 ' A' ' 56' ' ' ILE . 37.3 tp -61.26 -38.99 88.7 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.221 -0.924 . . . . 0.0 108.715 179.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -59.6 -39.55 84.58 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.515 ' O ' ' N ' ' A' ' 59' ' ' PHE . 53.3 m -60.42 -41.8 94.71 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.633 -0.667 . . . . 0.0 109.385 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.451 HD12 HD12 ' A' ' 53' ' ' LEU . 87.7 mt -61.58 -54.42 35.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.208 -0.932 . . . . 0.0 109.162 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' OE2' ' NZ ' ' A' ' 61' ' ' LYS . 85.0 tt0 -63.32 -39.44 94.55 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.43 -31.66 70.14 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.484 -0.76 . . . . 0.0 108.983 179.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 55' ' ' THR . 70.3 t80 -59.02 -54.35 48.08 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.325 -0.859 . . . . 0.0 109.754 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.486 ' HE3' HD11 ' B' ' 202' ' ' LEU . 25.4 mttt -62.82 -44.14 96.93 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.078 -1.014 . . . . 0.0 109.594 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.429 ' NZ ' ' OE2' ' A' ' 57' ' ' GLU . 18.4 mttt -83.15 -2.48 55.57 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.418 -0.801 . . . . 0.0 110.521 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 58' ' ' ALA . 84.5 tt0 -49.33 -36.56 21.61 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.077 -1.015 . . . . 0.0 109.543 -179.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.603 ' CD1' HD21 ' A' ' 76' ' ' LEU . 92.7 mt -78.54 -41.21 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.191 -0.943 . . . . 0.0 109.801 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.82 -6.05 59.98 Favored Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.376 -1.49 . . . . 0.0 109.376 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.54 -8.47 77.22 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 109.987 -1.245 . . . . 0.0 109.987 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -69.08 -42.7 75.85 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.127 -1.219 . . . . 0.0 109.809 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.0 t -61.21 -22.25 64.59 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.401 -0.812 . . . . 0.0 110.112 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -52.8 -27.82 19.78 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.195 -0.941 . . . . 0.0 109.355 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.56 -26.85 34.66 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.11 -0.994 . . . . 0.0 108.918 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.601 ' O ' ' N ' ' A' ' 72' ' ' SER . 95.4 mt-10 -108.43 176.69 5.03 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.541 -0.724 . . . . 0.0 109.711 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' GLU . 92.4 m-20 -43.12 -15.22 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.484 -0.76 . . . . 0.0 109.92 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.601 ' N ' ' O ' ' A' ' 70' ' ' GLU . 1.8 t -50.41 -32.13 16.84 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.988 -1.07 . . . . 0.0 108.73 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.402 ' HA ' HD12 ' A' ' 76' ' ' LEU . 56.7 t0 -58.57 -41.46 85.75 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -60.77 -40.71 93.58 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.2 m -60.47 -37.4 80.88 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.603 HD21 ' CD1' ' A' ' 63' ' ' ILE . 97.3 mt -60.34 -40.33 90.28 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.351 -0.843 . . . . 0.0 109.023 179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -60.72 -45.38 94.49 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 119.661 -0.816 . . . . 0.0 109.092 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.66 -48.93 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.28 -0.888 . . . . 0.0 109.89 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 89.3 mtp -66.93 -45.36 78.08 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.314 -0.866 . . . . 0.0 110.433 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.511 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 84.5 m-20 -63.02 -39.87 96.06 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.024 -1.048 . . . . 0.0 110.58 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.529 HG23 ' HZ2' ' A' ' 88' ' ' LYS . 63.2 m -64.75 -48.47 74.45 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.066 -1.021 . . . . 0.0 111.185 -178.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.1 mt -72.88 -34.08 66.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.054 -1.029 . . . . 0.0 110.974 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.9 mt -77.53 -41.54 29.34 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.0 -1.062 . . . . 0.0 111.062 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.511 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 64.5 m80 -67.52 -47.68 69.25 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.065 -1.022 . . . . 0.0 111.044 -179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -84.15 115.33 22.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.872 -1.143 . . . . 0.0 110.138 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.3 tp60 -61.9 -37.95 86.53 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.396 -0.815 . . . . 0.0 109.869 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.6 -43.5 98.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.072 -1.017 . . . . 0.0 109.623 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.529 ' HZ2' HG23 ' A' ' 81' ' ' THR . 96.0 mttt -63.97 -32.96 74.68 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.167 -0.958 . . . . 0.0 108.854 179.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.61 -40.85 72.92 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.225 -0.922 . . . . 0.0 109.608 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.515 ' HG3' HG23 ' A' ' 131' ' ' ILE . 3.8 ttpt -64.3 -48.46 75.57 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.346 -0.846 . . . . 0.0 109.972 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.681 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -69.39 -39.02 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.386 -0.821 . . . . 0.0 109.341 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.681 ' N ' HD12 ' A' ' 91' ' ' ILE . 59.8 t80 -58.78 -45.41 89.87 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.655 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 83.7 mtp -64.44 -38.6 91.61 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.328 -0.858 . . . . 0.0 109.232 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.6 tp -60.97 -39.55 90.01 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.068 -1.02 . . . . 0.0 109.391 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -66.86 -49.18 66.49 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.205 -0.935 . . . . 0.0 110.081 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.513 ' CE1' ' CZ ' ' A' ' 92' ' ' TYR . 59.0 m-85 -79.05 -49.2 13.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.257 -0.902 . . . . 0.0 109.94 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.527 ' N ' ' O ' ' A' ' 93' ' ' MET . 20.6 m -52.8 -42.75 65.36 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.098 -1.002 . . . . 0.0 108.576 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 52.8 ttm -65.26 -39.69 92.96 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 83.8 p -64.13 -34.12 77.34 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.454 -0.778 . . . . 0.0 109.39 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 100' ' ' LEU . 85.8 mt -63.46 -43.69 96.64 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.142 -0.974 . . . . 0.0 109.323 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.671 ' CE2' HD11 ' A' ' 105' ' ' LEU . 88.3 t80 -61.33 -44.33 97.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.248 -0.908 . . . . 0.0 109.78 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -58.84 -39.94 82.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.22 -0.925 . . . . 0.0 109.377 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -61.79 -41.09 97.29 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.353 -0.842 . . . . 0.0 109.631 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.559 ' HZ1' ' C ' ' A' ' 120' ' ' SER . 31.7 mmtp -61.34 -40.87 95.84 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.143 -0.973 . . . . 0.0 109.501 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.671 HD11 ' CE2' ' A' ' 101' ' ' TYR . 75.9 mt -58.67 -45.76 88.7 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.116 -0.99 . . . . 0.0 109.124 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -62.61 -39.76 94.8 Favored 'General case' 0 C--N 1.306 -1.305 0 O-C-N 121.195 -0.941 . . . . 0.0 109.923 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.585 ' O ' ' N ' ' A' ' 111' ' ' GLY . 96.3 mt-30 -62.25 -41.6 98.58 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.183 -0.948 . . . . 0.0 110.041 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.583 HD22 HD21 ' A' ' 161' ' ' LEU . 83.8 mt -67.53 -37.35 82.6 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.867 -1.146 . . . . 0.0 109.318 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.565 ' NZ ' ' OD1' ' A' ' 110' ' ' ASP . 15.7 ttpp -74.47 -52.62 11.47 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.477 -0.764 . . . . 0.0 110.772 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.565 ' OD1' ' NZ ' ' A' ' 109' ' ' LYS . 89.7 m-20 -98.1 -22.46 16.21 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.293 -0.88 . . . . 0.0 110.715 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -103.82 155.34 17.75 Favored Glycine 0 N--CA 1.494 2.517 0 C-N-CA 119.673 -1.251 . . . . 0.0 110.315 -178.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -69.74 154.21 68.07 Favored 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.93 2.42 . . . . 0.0 112.065 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.504 ' CD1' ' N ' ' A' ' 113' ' ' TRP . 0.8 OUTLIER -89.17 122.65 32.67 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.171 -0.956 . . . . 0.0 109.551 -179.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 42.4 t0 -135.12 164.87 26.68 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.298 -0.876 . . . . 0.0 109.26 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.468 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 4.2 m -61.66 -32.19 53.02 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.379 -0.825 . . . . 0.0 109.707 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.426 ' N ' HG23 ' A' ' 115' ' ' VAL . 68.3 mtm -59.59 -40.45 87.45 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.271 -0.893 . . . . 0.0 109.855 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 71.4 mt -65.11 -38.15 89.75 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.182 -0.949 . . . . 0.0 109.547 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -61.87 -42.37 98.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.294 -0.879 . . . . 0.0 109.784 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -63.67 -43.16 97.51 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.27 -0.894 . . . . 0.0 109.806 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.559 ' C ' ' HZ1' ' A' ' 104' ' ' LYS . 18.8 m -63.17 -39.45 94.69 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.333 -0.854 . . . . 0.0 109.597 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.805 HD23 HD13 ' A' ' 158' ' ' LEU . 38.0 tp -62.92 -41.35 99.44 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.25 -0.906 . . . . 0.0 109.463 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.647 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 65.4 m95 -60.33 -39.54 87.43 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.203 -0.935 . . . . 0.0 109.271 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 76.6 m -62.08 -45.19 94.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.234 -0.916 . . . . 0.0 109.488 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 82.4 m -61.28 -48.19 82.53 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.14 -0.975 . . . . 0.0 109.659 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 71.1 mt -60.35 -36.66 70.43 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.351 0 O-C-N 121.192 -0.943 . . . . 0.0 108.892 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.93 -39.72 82.42 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.293 -0.88 . . . . 0.0 108.779 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.35 -40.89 97.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.262 -0.899 . . . . 0.0 109.084 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.423 ' CE2' HG22 ' A' ' 97' ' ' THR . 35.5 m-85 -64.09 -42.63 96.86 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.275 -0.891 . . . . 0.0 109.805 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.8 t -61.72 -42.15 98.57 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.113 -0.992 . . . . 0.0 109.813 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.657 ' SG ' ' CD1' ' A' ' 30' ' ' TYR . 60.0 m -68.47 -49.2 61.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.145 -0.972 . . . . 0.0 110.093 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.515 HG23 ' HG3' ' A' ' 90' ' ' LYS . 94.8 mt -62.7 -50.4 79.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.327 0 O-C-N 121.17 -0.956 . . . . 0.0 110.439 -179.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.6 ' CD1' HD11 ' A' ' 151' ' ' ILE . 85.2 mt -67.22 -39.32 86.24 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.237 -0.914 . . . . 0.0 110.355 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -62.33 -49.65 74.73 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.134 -0.979 . . . . 0.0 110.269 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 35.0 tp -65.98 -42.81 89.35 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.058 -1.026 . . . . 0.0 109.802 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.416 ' HA ' HD22 ' A' ' 138' ' ' ASN . 89.5 m95 -86.86 1.36 52.71 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.292 -0.88 . . . . 0.0 110.272 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 132' ' ' LEU . 28.3 tptp -51.16 -37.77 48.25 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.178 -0.951 . . . . 0.0 109.981 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -63.92 -24.01 67.57 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.067 -1.021 . . . . 0.0 109.495 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.416 HD22 ' HA ' ' A' ' 135' ' ' TRP . 50.0 m-80 -92.2 -3.08 56.08 Favored 'General case' 0 N--CA 1.486 1.334 0 O-C-N 121.204 -0.935 . . . . 0.0 110.487 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.9 mm -103.99 139.43 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.033 -1.042 . . . . 0.0 109.568 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 52.1 p -77.86 155.97 30.68 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.383 -0.823 . . . . 0.0 108.998 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -50.62 -50.37 54.38 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.034 -1.041 . . . . 0.0 109.624 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 38.8 m -67.08 -42.68 84.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.975 -1.078 . . . . 0.0 109.246 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 37.4 t -59.16 -38.28 79.38 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.284 -0.885 . . . . 0.0 108.758 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.574 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -63.9 -39.17 93.57 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.196 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . 0.612 ' C ' HD22 ' A' ' 145' ' ' ASN . 0.2 OUTLIER -58.79 -40.75 84.96 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.351 -0.843 . . . . 0.0 109.118 179.554 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.3 m -62.93 -48.64 78.04 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.312 -0.868 . . . . 0.0 109.658 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 56.1 mt -65.54 -43.45 89.93 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.205 -0.934 . . . . 0.0 108.796 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.587 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -64.37 -33.47 75.92 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 178.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -60.25 -44.45 95.26 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.354 -0.841 . . . . 0.0 109.109 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -62.81 -41.67 99.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.178 -0.951 . . . . 0.0 108.934 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.6 HD11 ' CD1' ' A' ' 132' ' ' LEU . 84.8 mt -62.73 -39.5 85.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 O-C-N 121.333 -0.855 . . . . 0.0 108.887 179.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -57.53 -41.52 81.05 Favored 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -58.34 -41.65 85.07 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . 0.669 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 70.2 m -62.85 -50.86 69.26 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.436 -0.79 . . . . 0.0 108.88 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -62.64 -37.54 86.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.313 -0.867 . . . . 0.0 109.322 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 31.7 mt -58.54 -48.66 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 O-C-N 121.246 -0.909 . . . . 0.0 110.146 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.554 ' CE2' HD11 ' A' ' 166' ' ' ILE . 1.6 t80 -63.62 -40.77 97.73 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.805 HD13 HD23 ' A' ' 121' ' ' LEU . 38.5 tp -58.93 -40.34 84.31 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.5 m -61.96 -37.15 83.68 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.361 -0.837 . . . . 0.0 108.98 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 165' ' ' GLU . 34.8 mttm -61.03 -43.2 99.24 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.276 -0.89 . . . . 0.0 109.181 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.583 HD21 HD22 ' A' ' 108' ' ' LEU . 8.5 mp -68.52 -33.32 73.92 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.223 -0.923 . . . . 0.0 109.32 179.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.9 82.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.241 -0.912 . . . . 0.0 109.259 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -85.16 -5.8 59.32 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.207 -0.933 . . . . 0.0 109.213 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.3 -2.64 78.68 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.455 ' O ' ' O ' ' A' ' 160' ' ' LYS . 84.2 tt0 -95.46 148.44 22.48 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.336 -1.096 . . . . 0.0 109.51 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.554 HD11 ' CE2' ' A' ' 157' ' ' TYR . 8.3 tp -125.91 137.7 56.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.463 -0.773 . . . . 0.0 109.433 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 CA-C-O 117.944 -1.475 . . . . 0.0 109.534 -179.908 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.302 0.572 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 177' ' ' VAL . . . . . 0.433 ' H ' HG22 ' B' ' 177' ' ' VAL . 0.5 OUTLIER -67.88 153.04 95.85 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.22 -0.925 . . . . 0.0 109.435 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -60.5 -25.87 81.54 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.581 2.187 . . . . 0.0 112.197 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -105.16 140.86 37.68 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.359 -0.838 . . . . 0.0 109.49 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 69.9 mt -114.64 134.1 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.485 -0.759 . . . . 0.0 109.395 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -87.8 150.03 23.8 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.264 -0.897 . . . . 0.0 109.489 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -140.71 153.68 46.03 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.219 -0.925 . . . . 0.0 109.52 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -58.66 -33.62 70.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.344 -0.847 . . . . 0.0 109.598 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -94.09 139.62 30.76 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.25 -0.906 . . . . 0.0 109.561 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 185' ' ' VAL . . . . . 0.47 HG12 ' H ' ' B' ' 187' ' ' VAL . 38.6 t -115.18 140.05 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.513 -0.742 . . . . 0.0 109.427 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 -52.67 -36.58 57.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.266 -0.896 . . . . 0.0 109.781 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 187' ' ' VAL . . . . . 0.47 ' H ' HG12 ' B' ' 185' ' ' VAL . 79.4 t -62.02 -43.43 97.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.179 -0.951 . . . . 0.0 109.426 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -62.53 -35.13 78.43 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.995 -1.065 . . . . 0.0 109.455 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -58.16 -46.41 85.76 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.304 -0.873 . . . . 0.0 110.619 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.32 -44.35 71.88 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.168 -0.958 . . . . 0.0 110.392 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -58.65 -42.48 88.46 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.679 -1.263 . . . . 0.0 109.609 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.72 -35.95 82.22 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.263 -0.898 . . . . 0.0 109.378 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -59.65 -43.03 94.04 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.313 -0.867 . . . . 0.0 109.23 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -62.96 -43.28 99.24 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.172 -0.955 . . . . 0.0 109.196 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 11.6 tp -62.57 -41.4 98.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.383 -0.823 . . . . 0.0 108.896 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.87 81.74 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.308 -0.87 . . . . 0.0 109.406 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -64.48 -35.78 82.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.13 -0.981 . . . . 0.0 109.254 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -66.47 -42.99 86.67 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.082 -1.011 . . . . 0.0 109.215 179.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . 0.618 HD22 HG21 ' A' ' 32' ' ' VAL . 7.9 tp -67.61 -47.2 70.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.378 -0.826 . . . . 0.0 109.763 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -60.02 -36.35 77.04 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.146 -0.971 . . . . 0.0 109.427 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.68 -37.34 86.2 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.192 -0.943 . . . . 0.0 108.663 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 202' ' ' LEU . . . . . 0.486 HD11 ' HE3' ' A' ' 60' ' ' LYS . 18.8 tp -61.87 -38.8 89.63 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.391 -0.818 . . . . 0.0 109.233 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -94.87 0.26 54.64 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.244 -0.91 . . . . 0.0 109.451 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 118.032 -1.427 . . . . 0.0 109.588 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.618 ' HB1' ' CE ' ' A' ' 45' ' ' MET . . . -59.85 -39.04 83.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.184 -0.948 . . . . 0.0 109.127 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -63.47 -39.17 93.75 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.231 -0.918 . . . . 0.0 109.035 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.85 -40.12 79.36 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.9 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.67 -39.68 94.09 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.71 95.83 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.498 -0.751 . . . . 0.0 109.251 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.646 ' NH2' ' SG ' ' A' ' 123' ' ' CYS . 0.0 OUTLIER -60.33 -43.16 96.66 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.182 -0.949 . . . . 0.0 108.557 179.547 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.466 ' CG1' HD13 ' A' ' 27' ' ' LEU . 46.2 t -61.05 -37.1 76.6 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 O-C-N 121.455 -0.778 . . . . 0.0 108.979 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.439 HG22 HE22 ' A' ' 28' ' ' GLN . 73.5 t -60.49 -37.84 76.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.03 -41.14 96.0 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.433 ' H ' HG23 ' A' ' 11' ' ' THR . 9.3 p -70.57 -35.29 72.99 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.401 -0.812 . . . . 0.0 108.841 179.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.625 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -56.31 -48.2 77.18 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.368 -0.832 . . . . 0.0 108.794 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -63.57 -38.34 90.74 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.287 -0.883 . . . . 0.0 108.837 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.435 ' O ' HG23 ' A' ' 18' ' ' VAL . 55.9 t0 -60.01 -41.85 93.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.357 -0.839 . . . . 0.0 109.779 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -62.95 -41.29 99.46 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.225 -0.922 . . . . 0.0 109.554 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -58.73 -40.12 82.85 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.141 -0.974 . . . . 0.0 109.056 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -62.23 -32.85 73.58 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.375 -0.828 . . . . 0.0 109.586 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 14' ' ' ASP . 15.8 t -84.44 -8.2 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.382 -0.824 . . . . 0.0 109.655 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.62 7.68 68.72 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 20' ' ' LEU . 11.1 mp -95.95 49.85 1.17 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.259 -1.142 . . . . 0.0 109.035 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.48 -29.05 52.72 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.956 -1.258 . . . . 0.0 109.956 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.6 mm -58.33 -48.68 84.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 O-C-N 121.161 -1.199 . . . . 0.0 109.737 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mm -65.44 -45.44 92.96 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.073 -1.017 . . . . 0.0 109.37 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.567 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.97 -37.32 92.49 Favored Glycine 0 N--CA 1.489 2.227 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.882 ' CE2' HD11 ' A' ' 29' ' ' LEU . 68.8 t80 -64.38 -47.64 78.48 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.341 -1.094 . . . . 0.0 111.002 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.668 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 81.0 t80 -62.4 -47.09 85.67 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.049 -1.032 . . . . 0.0 111.098 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.625 HD11 ' HB2' ' A' ' 12' ' ' ALA . 3.3 pp -67.45 -32.53 73.45 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.782 -1.198 . . . . 0.0 109.295 -179.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.562 ' N ' HD12 ' A' ' 27' ' ' LEU . 54.6 tp60 -59.97 -41.91 92.98 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.882 HD11 ' CE2' ' A' ' 25' ' ' TYR . 87.4 mt -61.66 -37.89 85.7 Favored 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 178.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.662 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 79.4 t80 -64.99 -36.59 84.88 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.335 -0.853 . . . . 0.0 109.296 179.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.31 -46.05 91.89 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.341 -0.849 . . . . 0.0 110.251 -179.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.794 HG21 HD22 ' B' ' 199' ' ' LEU . 1.5 p -64.69 -42.27 94.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.875 -1.141 . . . . 0.0 109.195 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.6 -35.52 78.08 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.904 -1.122 . . . . 0.0 108.875 179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.9 HD23 ' HB2' ' A' ' 5' ' ' ALA . 27.0 tp -64.29 -42.24 96.49 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.297 -0.877 . . . . 0.0 109.93 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.38 -48.29 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 O-C-N 121.157 -0.965 . . . . 0.0 110.122 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.6 mp -65.52 -36.49 84.0 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.293 -0.88 . . . . 0.0 109.396 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.2 p -75.19 -20.12 59.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.244 -0.91 . . . . 0.0 108.79 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.525 ' OE2' ' NE ' ' A' ' 41' ' ' ARG . 84.3 tt0 -80.56 150.78 29.44 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.772 -0.58 . . . . 0.0 109.738 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.53 150.18 15.87 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.26 -0.9 . . . . 0.0 109.531 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -58.44 141.05 52.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.418 -0.802 . . . . 0.0 110.32 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.525 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 83.6 mtt-85 -122.48 170.52 9.9 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.674 -0.641 . . . . 0.0 109.42 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 58.3 p -57.53 169.57 0.65 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.17 -0.956 . . . . 0.0 109.867 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.47 -32.08 64.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.539 -0.726 . . . . 0.0 110.716 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.85 -41.92 58.29 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.889 -1.132 . . . . 0.0 109.213 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.618 ' CE ' ' HB1' ' A' ' 2' ' ' ALA . 7.5 tpt -64.56 -38.98 92.87 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.281 -0.887 . . . . 0.0 108.778 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.5 m -60.99 -40.01 91.84 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.561 -0.712 . . . . 0.0 109.458 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.87 99.62 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.305 -0.872 . . . . 0.0 109.004 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 48' ' ' LEU . 87.2 mt -62.43 -37.23 85.05 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.314 -0.866 . . . . 0.0 109.111 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.89 92.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.25 -0.906 . . . . 0.0 108.805 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.0 m -61.63 -40.97 96.76 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.447 -0.783 . . . . 0.0 109.135 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.01 -41.71 97.06 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.314 -0.866 . . . . 0.0 109.243 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.4 mt -60.79 -39.34 88.52 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.19 -0.943 . . . . 0.0 109.077 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.661 HD22 HD11 ' B' ' 195' ' ' LEU . 19.3 tp -60.38 -40.08 89.57 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.202 -0.936 . . . . 0.0 108.757 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -59.91 -40.42 88.79 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.7 m -60.42 -41.2 93.48 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.574 -0.704 . . . . 0.0 109.488 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.555 HG21 HD22 ' B' ' 202' ' ' LEU . 78.2 mt -58.64 -51.69 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.2 -0.937 . . . . 0.0 108.953 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.96 -36.51 81.66 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -68.56 -31.37 70.53 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' THR . 72.9 t80 -58.52 -53.97 52.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.343 -0.848 . . . . 0.0 108.974 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.89 -39.86 93.4 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 119.368 -0.933 . . . . 0.0 109.113 179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -82.41 -1.98 51.71 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.393 -0.817 . . . . 0.0 109.988 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 58' ' ' ALA . 20.1 pt-20 -49.1 -31.1 7.39 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.198 -0.938 . . . . 0.0 110.157 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.1 pt -68.25 -34.02 63.87 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 O-C-N 121.05 -1.031 . . . . 0.0 109.75 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.32 -3.99 13.92 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.378 -1.489 . . . . 0.0 109.378 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.41 0.18 65.31 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.447 -1.461 . . . . 0.0 109.447 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -65.2 -45.37 85.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.141 -1.211 . . . . 0.0 109.436 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.8 m -62.6 -31.57 72.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.432 -0.792 . . . . 0.0 109.308 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.64 -28.59 67.36 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.398 -0.814 . . . . 0.0 109.814 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.08 97.43 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.062 -1.024 . . . . 0.0 110.283 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -134.68 145.38 48.48 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.286 -0.883 . . . . 0.0 109.968 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 48.64 42.62 19.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.286 -0.884 . . . . 0.0 109.182 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 80.8 p -63.32 -38.41 91.06 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.314 -0.866 . . . . 0.0 110.163 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -62.85 -41.91 99.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.031 -1.043 . . . . 0.0 109.878 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -65.03 -44.95 87.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.283 -0.885 . . . . 0.0 110.593 -179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.8 p -64.85 -41.49 95.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.991 -1.068 . . . . 0.0 110.134 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 96.2 mt -68.26 -38.26 81.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.278 -0.889 . . . . 0.0 109.922 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -61.66 -45.54 93.57 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.282 -0.886 . . . . 0.0 110.302 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.4 t -69.28 -49.61 59.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.2 -0.937 . . . . 0.0 110.118 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 89.1 mtp -67.62 -46.32 72.88 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.036 -1.04 . . . . 0.0 110.127 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.602 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 56.9 t-20 -66.54 -44.01 83.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.34 -0.85 . . . . 0.0 111.034 -179.123 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.1 m -68.91 -48.99 61.96 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.169 -0.957 . . . . 0.0 111.96 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.5 mt -72.38 -34.15 67.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.85 -1.157 . . . . 0.0 111.508 -178.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 84.7 mt -79.28 -42.3 23.34 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 120.95 -1.094 . . . . 0.0 111.339 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.602 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 72.9 m80 -74.58 -48.16 28.3 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.014 -1.054 . . . . 0.0 111.306 -178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -85.07 110.64 19.1 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.799 -1.188 . . . . 0.0 109.997 -179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -61.76 -36.52 81.28 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.474 -0.766 . . . . 0.0 110.148 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.84 -43.35 94.66 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.096 -1.002 . . . . 0.0 109.8 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -64.01 -33.22 75.25 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.125 -0.984 . . . . 0.0 108.532 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.88 -40.76 75.48 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.202 -0.936 . . . . 0.0 109.569 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.594 ' NZ ' ' CG ' ' A' ' 135' ' ' TRP . 16.8 tttp -62.23 -48.69 78.84 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.155 -0.966 . . . . 0.0 111.071 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.094 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -64.95 -38.45 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 120.618 -1.301 . . . . 0.0 108.76 -178.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 1.094 ' N ' HD13 ' A' ' 91' ' ' ILE . 61.6 t80 -63.09 -43.8 97.49 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.668 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 73.9 mtm -70.38 -41.54 72.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.612 -0.68 . . . . 0.0 110.001 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.06 -40.61 94.32 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.092 -1.005 . . . . 0.0 109.213 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -63.02 -45.69 91.12 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.373 -0.829 . . . . 0.0 109.482 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.454 ' HE2' HD22 ' A' ' 100' ' ' LEU . 65.8 t80 -65.0 -43.05 93.81 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.39 -0.819 . . . . 0.0 109.598 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 93' ' ' MET . 64.8 p -59.76 -43.44 94.32 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 121.332 -0.855 . . . . 0.0 109.735 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.9 ttp -63.6 -44.84 92.82 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.251 -0.906 . . . . 0.0 109.036 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.7 t -68.82 -42.18 77.57 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.435 -0.79 . . . . 0.0 109.896 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.454 HD22 ' HE2' ' A' ' 96' ' ' PHE . 29.6 tp -65.13 -41.56 94.7 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.304 -0.872 . . . . 0.0 110.143 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.761 ' CE2' HD11 ' A' ' 105' ' ' LEU . 87.2 t80 -63.72 -45.69 88.81 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.2 -0.937 . . . . 0.0 110.146 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -59.61 -41.46 90.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.15 -0.969 . . . . 0.0 109.639 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.23 -40.86 95.62 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.311 -0.868 . . . . 0.0 109.738 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -62.36 -40.98 98.18 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.252 -0.905 . . . . 0.0 109.932 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.761 HD11 ' CE2' ' A' ' 101' ' ' TYR . 82.3 mt -59.36 -44.73 92.65 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.135 -0.978 . . . . 0.0 109.356 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -60.75 -38.88 86.68 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.193 -0.942 . . . . 0.0 109.695 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.7 mt-30 -62.17 -39.61 93.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.255 -0.903 . . . . 0.0 109.992 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 63.1 mt -66.11 -37.85 86.76 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.978 -1.076 . . . . 0.0 109.506 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -78.02 -53.0 7.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.316 -0.865 . . . . 0.0 110.446 -179.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -89.6 -22.71 22.21 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.281 -0.887 . . . . 0.0 110.65 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -102.89 154.58 18.26 Favored Glycine 0 N--CA 1.493 2.49 0 C-N-CA 119.698 -1.239 . . . . 0.0 110.289 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -70.84 154.34 63.52 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 122.938 2.425 . . . . 0.0 111.983 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.586 ' CE2' ' OH ' ' A' ' 157' ' ' TYR . 25.9 m-90 -86.95 122.35 30.68 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.208 -0.932 . . . . 0.0 109.482 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 86.9 m-20 -134.64 166.09 23.72 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.357 -0.839 . . . . 0.0 109.366 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 116' ' ' MET . 12.6 m -64.1 -32.6 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.282 -0.887 . . . . 0.0 109.333 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.407 ' N ' HG23 ' A' ' 115' ' ' VAL . 0.8 OUTLIER -59.64 -40.8 88.84 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.415 -0.803 . . . . 0.0 109.647 -179.293 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.91 -37.71 88.53 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.393 -0.817 . . . . 0.0 109.514 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -59.48 -44.09 93.12 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.182 -0.949 . . . . 0.0 109.387 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.403 HH12 ' HB ' ' A' ' 115' ' ' VAL . 68.4 mtt85 -63.77 -40.56 96.99 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.27 -0.894 . . . . 0.0 109.511 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.0 p -64.8 -34.43 78.33 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.235 -0.916 . . . . 0.0 109.262 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.548 HD23 HD13 ' A' ' 158' ' ' LEU . 27.2 tp -64.82 -42.49 94.94 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.38 -0.825 . . . . 0.0 109.245 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -60.95 -40.28 92.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.282 -0.886 . . . . 0.0 109.338 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.646 ' SG ' ' NH2' ' A' ' 7' ' ' ARG . 73.2 m -62.07 -43.19 99.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.188 -0.945 . . . . 0.0 109.55 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.408 ' SG ' HD23 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -62.0 -46.96 86.91 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.197 -0.939 . . . . 0.0 109.845 -179.787 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 83.8 mt -60.34 -38.82 78.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.147 -0.971 . . . . 0.0 109.178 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.524 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.3 m-20 -61.57 -40.56 95.16 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.307 -0.871 . . . . 0.0 109.859 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.24 -45.06 95.02 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.127 -0.983 . . . . 0.0 109.874 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.546 ' CD1' HD11 ' A' ' 151' ' ' ILE . 30.2 t80 -72.05 -43.13 65.42 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.126 -0.984 . . . . 0.0 109.56 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.5 m -63.11 -38.64 91.99 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.298 -0.876 . . . . 0.0 109.92 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.662 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 82.8 m -65.98 -49.46 67.76 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.145 -0.972 . . . . 0.0 109.765 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 88.8 mt -63.78 -47.73 89.63 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.19 -0.944 . . . . 0.0 109.699 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 136' ' ' LYS . 39.5 tp -61.74 -38.98 89.94 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.354 -0.842 . . . . 0.0 109.798 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -60.36 -49.65 76.74 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.256 -0.902 . . . . 0.0 110.258 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 20.9 tp -66.13 -42.95 88.44 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.174 -0.954 . . . . 0.0 109.703 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.594 ' CG ' ' NZ ' ' A' ' 90' ' ' LYS . 97.1 m95 -86.93 2.46 49.24 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.27 -0.894 . . . . 0.0 109.919 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 132' ' ' LEU . 19.7 tptm -51.53 -38.44 54.21 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.227 -0.921 . . . . 0.0 110.099 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.84 -21.9 66.01 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.238 -0.913 . . . . 0.0 109.778 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.438 HD22 ' HA ' ' A' ' 135' ' ' TRP . 47.6 m-80 -92.16 -6.24 51.1 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.157 -0.964 . . . . 0.0 110.661 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.8 mm -104.63 146.86 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.158 -0.964 . . . . 0.0 109.48 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.8 m -77.01 155.06 32.85 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.325 -0.859 . . . . 0.0 109.207 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -57.36 -39.13 75.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.162 -0.961 . . . . 0.0 109.858 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 41.1 m -75.18 -45.08 42.91 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.78 -1.2 . . . . 0.0 109.996 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 47.2 m -61.65 -46.41 89.89 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.178 -0.951 . . . . 0.0 110.077 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.479 HG23 ' N ' ' A' ' 145' ' ' ASN . 14.1 t -64.79 -39.87 94.31 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 120.982 -1.073 . . . . 0.0 108.321 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . 0.62 ' C ' HD22 ' A' ' 145' ' ' ASN . 0.1 OUTLIER -54.41 -41.15 68.97 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.363 -0.836 . . . . 0.0 108.765 179.243 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.9 m -62.68 -45.31 93.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.363 -0.836 . . . . 0.0 109.175 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 60.1 mt -65.77 -44.65 85.17 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.26 -0.9 . . . . 0.0 108.804 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -61.72 -34.6 76.09 Favored 'General case' 0 C--N 1.303 -1.427 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -61.31 -41.93 97.81 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.503 -0.748 . . . . 0.0 108.983 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.432 ' NH2' ' CE2' ' A' ' 128' ' ' PHE . 60.0 ttp180 -60.06 -42.08 93.75 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.201 -0.937 . . . . 0.0 108.532 179.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.546 HD11 ' CD1' ' A' ' 128' ' ' PHE . 87.8 mt -61.02 -38.62 79.92 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -57.71 -41.36 81.57 Favored 'General case' 0 N--CA 1.486 1.337 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.536 ' HA ' HD12 ' A' ' 156' ' ' ILE . 76.3 t80 -57.98 -42.78 85.81 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . 0.543 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 5.2 m -62.86 -50.62 70.21 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -62.44 -34.41 76.73 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.405 -0.809 . . . . 0.0 109.411 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 153' ' ' TYR . 18.9 mt -58.26 -49.24 82.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 O-C-N 121.222 -0.924 . . . . 0.0 110.227 -179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.737 ' OH ' HG23 ' A' ' 166' ' ' ILE . 61.8 t80 -64.43 -41.18 96.74 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.548 HD13 HD23 ' A' ' 121' ' ' LEU . 34.7 tp -59.55 -41.47 90.2 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 121.409 0.623 . . . . 0.0 109.345 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.2 m -60.88 -39.68 90.14 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.147 -0.971 . . . . 0.0 108.834 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -61.54 -38.09 86.16 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.304 -0.873 . . . . 0.0 108.907 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 73.9 mt -62.15 -37.84 86.73 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.228 -0.92 . . . . 0.0 108.707 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.53 -36.93 85.41 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.39 -0.819 . . . . 0.0 109.106 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -81.81 -10.66 59.27 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.346 -0.846 . . . . 0.0 109.371 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.51 1.03 72.01 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.67 147.6 23.13 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.165 -1.197 . . . . 0.0 109.706 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.737 HG23 ' OH ' ' A' ' 157' ' ' TYR . 37.4 mm -116.69 135.36 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.526 -0.734 . . . . 0.0 109.503 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 179.93 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.84 135.88 92.24 Favored Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.209 -0.932 . . . . 0.0 109.008 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -64.44 145.78 88.44 Favored 'Trans proline' 0 N--CA 1.493 1.448 0 C-N-CA 121.848 1.699 . . . . 0.0 112.112 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.64 -35.47 78.01 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.237 -0.915 . . . . 0.0 109.528 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 180' ' ' ILE . . . . . 0.451 HG22 ' H ' ' B' ' 182' ' ' ALA . 70.3 mt -118.8 129.7 74.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.384 -0.823 . . . . 0.0 109.526 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -60.08 -35.93 76.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.246 -0.909 . . . . 0.0 109.437 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 182' ' ' ALA . . . . . 0.451 ' H ' HG22 ' B' ' 180' ' ' ILE . . . -65.48 146.27 55.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.287 -0.883 . . . . 0.0 109.555 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 27.8 mttp -92.66 142.75 27.03 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.241 -0.912 . . . . 0.0 109.564 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.67 -31.41 72.29 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.327 -0.858 . . . . 0.0 109.504 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 185' ' ' VAL . . . . . 0.405 HG23 ' N ' ' B' ' 186' ' ' ASN . 15.1 m -64.38 -34.08 66.95 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 O-C-N 121.282 -0.886 . . . . 0.0 109.745 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 186' ' ' ASN . . . . . 0.405 ' N ' HG23 ' B' ' 185' ' ' VAL . 86.2 m-20 -56.59 -35.02 67.75 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 109.594 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 73.9 t -61.0 -41.33 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.222 -0.924 . . . . 0.0 109.507 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -59.77 -34.12 72.58 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.934 -1.104 . . . . 0.0 109.543 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -57.3 -48.01 80.01 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.327 -0.858 . . . . 0.0 110.624 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.92 -40.13 83.41 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.147 -0.971 . . . . 0.0 109.899 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -58.09 -41.26 83.1 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.849 -1.157 . . . . 0.0 109.28 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.56 -38.22 90.26 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.156 -0.965 . . . . 0.0 108.948 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.21 -40.51 90.4 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.374 -0.829 . . . . 0.0 108.851 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -61.84 -40.13 94.23 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.369 -0.832 . . . . 0.0 109.202 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 195' ' ' LEU . . . . . 0.661 HD11 HD22 ' A' ' 53' ' ' LEU . 37.0 tp -59.49 -40.64 87.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.252 -0.905 . . . . 0.0 109.067 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.08 -37.65 85.87 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.259 -0.901 . . . . 0.0 108.873 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.19 -35.28 80.58 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.363 -0.836 . . . . 0.0 109.205 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . 0.52 ' CZ ' HD21 ' A' ' 53' ' ' LEU . 81.6 mtp180 -62.39 -42.5 99.47 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.228 -0.92 . . . . 0.0 109.238 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . 0.794 HD22 HG21 ' A' ' 32' ' ' VAL . 7.6 tp -63.06 -44.95 94.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.191 -0.943 . . . . 0.0 108.99 179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -60.58 -37.61 81.9 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.346 -0.846 . . . . 0.0 108.993 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.91 81.87 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.209 -0.932 . . . . 0.0 108.583 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 202' ' ' LEU . . . . . 0.555 HD22 HG21 ' A' ' 56' ' ' ILE . 5.8 tp -59.7 -39.53 84.88 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -97.31 1.25 49.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.399 -0.813 . . . . 0.0 109.542 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 CA-C-O 117.961 -1.466 . . . . 0.0 109.596 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.351 0.596 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.25 -41.07 87.89 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.153 -0.967 . . . . 0.0 109.233 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -63.61 -37.74 88.48 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.191 -0.943 . . . . 0.0 108.981 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -56.45 -42.6 78.41 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.884 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.7 -39.5 94.47 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.61 93.29 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.341 -0.849 . . . . 0.0 109.534 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.429 HH12 ' HB3' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -60.3 -40.6 91.09 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.059 -1.026 . . . . 0.0 108.571 179.458 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.407 ' CG1' HD13 ' A' ' 27' ' ' LEU . 53.9 t -63.11 -37.18 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 O-C-N 121.48 -0.763 . . . . 0.0 109.433 179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.61 -40.1 83.55 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.152 -0.968 . . . . 0.0 108.487 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.82 82.19 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 119.666 -0.813 . . . . 0.0 109.248 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.18 -34.36 78.2 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.673 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -60.79 -41.85 96.43 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.304 -0.872 . . . . 0.0 108.68 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.6 mttp -61.14 -38.75 87.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.339 -0.85 . . . . 0.0 108.775 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -58.55 -42.82 88.75 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.2 -0.938 . . . . 0.0 109.315 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -62.2 -40.84 97.4 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.317 -0.865 . . . . 0.0 109.422 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' OD1' ' OE2' ' A' ' 62' ' ' GLU . 53.0 t0 -58.68 -37.94 77.13 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.214 -0.929 . . . . 0.0 108.934 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -61.38 -32.47 72.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.44 -0.788 . . . . 0.0 109.078 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 56.6 t -83.83 -12.87 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.417 -0.802 . . . . 0.0 109.561 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.3 18.48 52.92 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.5 mt -95.83 54.66 1.53 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.344 -1.092 . . . . 0.0 109.2 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.19 -28.79 50.74 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.1 mm -58.36 -50.55 78.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 O-C-N 121.119 -1.224 . . . . 0.0 109.509 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.1 mm -63.85 -42.47 95.97 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.239 -0.913 . . . . 0.0 108.771 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.403 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.05 -40.38 95.49 Favored Glycine 0 N--CA 1.488 2.157 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.793 ' CE2' HD11 ' A' ' 29' ' ' LEU . 71.0 t80 -62.75 -47.97 81.2 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.089 -1.242 . . . . 0.0 111.154 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.663 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 46.8 t80 -64.45 -47.03 80.59 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.965 -1.084 . . . . 0.0 111.497 -178.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.673 HD11 ' HB2' ' A' ' 12' ' ' ALA . 3.2 pp -67.32 -34.73 77.97 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.704 -1.248 . . . . 0.0 110.075 -178.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.545 HE22 HG22 ' A' ' 55' ' ' THR . 89.4 mt-30 -60.11 -39.63 86.87 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.566 -1.334 . . . . 0.0 108.079 178.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.793 HD11 ' CE2' ' A' ' 25' ' ' TYR . 92.2 mt -62.76 -37.2 85.68 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 178.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -67.21 -37.36 83.49 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.269 -0.894 . . . . 0.0 109.399 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.5 93.69 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.309 -0.869 . . . . 0.0 110.369 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.74 HG21 ' CD2' ' B' ' 199' ' ' LEU . 2.2 p -64.08 -42.82 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 120.88 -1.138 . . . . 0.0 108.832 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.65 -34.64 76.05 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.998 -1.064 . . . . 0.0 108.743 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.884 HD23 ' HB2' ' A' ' 5' ' ' ALA . 37.6 tp -63.22 -43.15 98.91 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.49 -0.756 . . . . 0.0 109.806 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.1 mt -64.81 -48.1 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 O-C-N 121.087 -1.008 . . . . 0.0 109.709 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.486 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.4 mp -65.05 -36.44 84.35 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.292 -0.88 . . . . 0.0 109.417 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.4 p -72.77 -20.89 61.09 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.595 ' CD ' ' HE ' ' A' ' 41' ' ' ARG . 80.0 tt0 -78.34 151.33 32.96 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.58 151.0 11.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.288 -0.882 . . . . 0.0 109.507 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.11 130.39 46.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.444 -0.785 . . . . 0.0 110.088 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.595 ' HE ' ' CD ' ' A' ' 38' ' ' GLU . 96.4 mtt-85 -122.3 170.94 9.42 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.766 -0.584 . . . . 0.0 109.681 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.8 p -57.52 169.04 0.71 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.338 -0.851 . . . . 0.0 110.555 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.552 ' NE2' ' OD2' ' B' ' 188' ' ' ASP . 94.4 mt-30 -56.65 -24.73 50.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.858 -0.526 . . . . 0.0 111.317 -178.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.57 -44.73 47.05 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.718 -1.239 . . . . 0.0 109.678 -178.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -36.08 79.02 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.947 -1.095 . . . . 0.0 109.132 178.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.5 m -59.61 -41.91 91.45 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.311 -0.868 . . . . 0.0 109.252 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.34 -43.27 95.12 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.163 -0.961 . . . . 0.0 108.812 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.98 -38.07 89.66 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.336 -0.853 . . . . 0.0 109.108 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.9 87.15 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.257 -0.902 . . . . 0.0 108.692 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 35.2 m -62.92 -38.17 89.92 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.371 -0.83 . . . . 0.0 109.188 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.98 -43.98 98.05 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.385 -0.822 . . . . 0.0 109.987 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 52' ' ' LEU . 7.0 mp -63.66 -39.64 94.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.991 -1.068 . . . . 0.0 109.353 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 53.3 tp -59.8 -40.37 88.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.17 -0.956 . . . . 0.0 108.773 179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -61.66 -38.18 86.81 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.545 HG22 HE22 ' A' ' 28' ' ' GLN . 43.3 m -60.05 -41.97 93.48 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.661 -0.649 . . . . 0.0 109.746 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.45 HG21 HD21 ' B' ' 202' ' ' LEU . 83.0 mt -58.15 -49.77 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.117 -0.989 . . . . 0.0 109.18 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -62.23 -37.55 85.82 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.7 -34.73 77.47 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.481 -0.762 . . . . 0.0 109.044 179.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.5 OUTLIER -58.97 -53.91 53.08 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.231 -0.918 . . . . 0.0 109.361 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.868 ' NZ ' HG21 ' A' ' 83' ' ' ILE . 26.9 mttm -59.81 -41.17 90.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.147 -0.971 . . . . 0.0 109.345 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -82.8 -2.4 54.45 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.403 -0.811 . . . . 0.0 110.067 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.489 ' OE2' ' OD1' ' A' ' 16' ' ' ASP . 86.6 tt0 -49.41 -35.25 18.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.122 -0.986 . . . . 0.0 109.919 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.481 HD12 ' SD ' ' A' ' 79' ' ' MET . 79.6 mt -68.55 -40.33 81.82 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 121.111 -0.993 . . . . 0.0 109.769 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.42 -5.22 60.91 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.14 -3.02 79.91 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -64.86 -47.11 79.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.055 -1.262 . . . . 0.0 108.531 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.8 t -70.74 -31.11 67.83 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.15 -29.5 65.63 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.663 -0.648 . . . . 0.0 109.802 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.24 -35.69 67.67 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.957 -1.089 . . . . 0.0 109.822 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -111.19 137.2 49.18 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.331 -0.856 . . . . 0.0 109.466 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 50.8 45.3 27.44 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.181 -0.95 . . . . 0.0 108.768 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.8 p -56.63 -35.16 68.02 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.482 -0.762 . . . . 0.0 110.324 -178.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.59 ' O ' ' CD2' ' A' ' 77' ' ' HIS . 30.4 p-10 -64.89 -43.94 91.28 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.03 -1.044 . . . . 0.0 110.493 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.567 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 98.5 mttt -64.46 -38.37 90.79 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.21 -0.932 . . . . 0.0 109.962 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.3 m -63.08 -44.92 94.43 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.268 -0.895 . . . . 0.0 110.063 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 84.1 mt -68.29 -39.29 82.13 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.279 -0.888 . . . . 0.0 110.015 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 72.0 m-70 -59.25 -45.17 91.89 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.152 -0.968 . . . . 0.0 110.353 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 79.4 t -67.85 -49.46 68.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.059 -1.026 . . . . 0.0 110.302 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.481 ' SD ' HD12 ' A' ' 63' ' ' ILE . 70.2 mtm -67.94 -46.27 71.94 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.121 -0.987 . . . . 0.0 110.785 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -69.29 -43.08 74.57 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.925 -1.11 . . . . 0.0 111.472 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.1 m -69.01 -49.32 58.78 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.12 -0.988 . . . . 0.0 111.941 -178.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.9 mt -73.21 -33.63 65.47 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.966 -1.084 . . . . 0.0 111.549 -177.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.868 HG21 ' NZ ' ' A' ' 60' ' ' LYS . 76.3 mt -79.4 -40.31 21.57 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 120.884 -1.135 . . . . 0.0 111.698 -178.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -83.76 -36.67 23.44 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.88 -1.138 . . . . 0.0 111.951 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -86.17 114.61 23.14 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.64 -1.287 . . . . 0.0 110.157 -178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.496 ' CG ' ' N ' ' A' ' 87' ' ' GLU . 10.5 pt20 -62.23 -41.12 98.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.586 -0.697 . . . . 0.0 110.566 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.496 ' N ' ' CG ' ' A' ' 86' ' ' GLN . 97.0 mt-10 -63.3 -40.09 96.38 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.241 -0.912 . . . . 0.0 110.416 -178.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -60.6 -32.4 71.53 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.935 -1.103 . . . . 0.0 108.663 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.44 -41.66 72.57 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.262 -0.898 . . . . 0.0 109.212 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.439 ' HG3' HG21 ' A' ' 131' ' ' ILE . 28.1 tttt -65.19 -48.59 72.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.213 -0.929 . . . . 0.0 110.752 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.76 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.6 pp -63.53 -41.8 93.93 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 O-C-N 120.824 -1.173 . . . . 0.0 108.938 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.76 ' N ' HD12 ' A' ' 91' ' ' ILE . 55.4 t80 -64.17 -48.85 74.35 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.663 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 83.4 mtp -68.09 -40.36 82.67 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.377 -0.827 . . . . 0.0 109.757 179.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.5 tp -60.39 -39.15 86.28 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -61.15 -44.75 96.83 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.407 -0.808 . . . . 0.0 108.884 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -65.19 -43.37 91.84 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.474 -0.766 . . . . 0.0 109.482 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 93' ' ' MET . 63.7 p -59.81 -42.54 93.69 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 121.235 -0.916 . . . . 0.0 109.533 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.2 ttp -60.38 -45.55 93.13 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.327 -0.858 . . . . 0.0 108.852 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.3 m -67.02 -41.55 86.43 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.388 -0.82 . . . . 0.0 109.174 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.5 tp -64.41 -39.01 93.03 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.4 -0.813 . . . . 0.0 109.542 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.431 ' CE2' HD11 ' A' ' 105' ' ' LEU . 87.7 t80 -61.6 -48.26 81.74 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.304 -0.873 . . . . 0.0 110.05 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -63.87 -47.18 81.7 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.074 -1.016 . . . . 0.0 109.483 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.15 -34.84 79.35 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.427 -0.796 . . . . 0.0 109.577 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -60.81 -46.0 92.24 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.192 -0.942 . . . . 0.0 109.529 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.431 HD11 ' CE2' ' A' ' 101' ' ' TYR . 85.2 mt -60.88 -46.51 90.31 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.253 -0.904 . . . . 0.0 109.17 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -60.78 -37.35 81.59 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 121.098 -1.001 . . . . 0.0 109.076 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.583 ' O ' ' N ' ' A' ' 111' ' ' GLY . 63.2 tt0 -60.59 -39.57 88.56 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.331 -0.856 . . . . 0.0 109.363 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.919 HD13 ' CE2' ' A' ' 157' ' ' TYR . 95.3 mt -63.05 -43.0 99.84 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.165 -0.96 . . . . 0.0 109.494 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -78.61 -52.36 8.56 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.272 -0.892 . . . . 0.0 110.094 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -77.44 -23.51 50.5 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.418 -0.801 . . . . 0.0 110.314 -179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -105.86 154.12 17.03 Favored Glycine 0 N--CA 1.494 2.557 0 C-N-CA 119.729 -1.224 . . . . 0.0 110.268 -179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -71.54 154.22 60.18 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.901 2.401 . . . . 0.0 112.053 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.416 ' HE1' ' HB3' ' A' ' 108' ' ' LEU . 15.3 m-90 -94.17 120.44 34.42 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.154 -0.966 . . . . 0.0 109.627 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 87.3 m-20 -134.91 163.42 29.87 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.345 -0.847 . . . . 0.0 108.882 179.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -59.83 -36.74 68.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 O-C-N 120.972 -1.08 . . . . 0.0 108.661 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.457 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 1.8 mpp? -60.59 -40.57 92.26 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.532 -0.73 . . . . 0.0 109.34 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.7 HD21 HD21 ' A' ' 108' ' ' LEU . 8.6 tt -62.56 -39.69 94.46 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.406 -0.809 . . . . 0.0 109.382 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -60.15 -41.26 92.41 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.249 -0.907 . . . . 0.0 109.057 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.429 ' HB3' HH12 ' A' ' 7' ' ' ARG . 97.4 mtt180 -61.78 -40.22 94.42 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.417 -0.802 . . . . 0.0 109.177 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.5 p -64.63 -35.1 79.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.346 -0.846 . . . . 0.0 109.493 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.661 HD22 HD22 ' A' ' 158' ' ' LEU . 7.7 tt -64.44 -41.0 96.8 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.161 -0.962 . . . . 0.0 109.005 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -61.97 -39.38 91.94 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.294 -0.879 . . . . 0.0 109.16 179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.65 -42.62 99.16 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.284 -0.885 . . . . 0.0 109.531 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 24.6 m -60.0 -44.9 94.25 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.185 -0.947 . . . . 0.0 109.384 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.51 -37.88 76.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.562 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.1 m-20 -61.82 -40.2 94.45 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.387 -0.821 . . . . 0.0 109.538 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.568 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 83.9 mt -58.88 -51.47 69.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.153 -0.967 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -72.67 -43.4 63.19 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.325 -0.86 . . . . 0.0 109.576 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.0 m -64.33 -38.79 92.28 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.37 -0.831 . . . . 0.0 110.489 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 127' ' ' LEU . 29.5 p -68.22 -50.37 54.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.984 -1.072 . . . . 0.0 109.904 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.531 ' N ' ' SG ' ' A' ' 130' ' ' CYS . 83.5 mt -62.4 -46.15 97.09 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.325 0 O-C-N 121.022 -1.049 . . . . 0.0 109.204 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.701 HD21 HE22 ' A' ' 148' ' ' GLN . 20.5 tp -61.08 -36.82 80.66 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.559 -0.713 . . . . 0.0 109.137 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -59.2 -46.56 88.1 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.368 -0.832 . . . . 0.0 110.257 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.78 -47.12 82.2 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.008 -1.058 . . . . 0.0 110.018 -179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.438 ' HA ' HD22 ' A' ' 138' ' ' ASN . 23.5 m95 -88.56 4.2 47.7 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.374 -0.829 . . . . 0.0 110.722 -179.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 132' ' ' LEU . 2.4 tttm -53.42 -40.77 65.39 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.037 -1.04 . . . . 0.0 109.348 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.51 -17.46 64.17 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.33 -0.856 . . . . 0.0 109.179 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.438 HD22 ' HA ' ' A' ' 135' ' ' TRP . 12.0 m-80 -88.95 -8.17 54.65 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.425 -0.797 . . . . 0.0 110.21 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.7 mt -108.61 147.04 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.242 -0.911 . . . . 0.0 109.595 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 56.3 p -77.15 154.92 32.7 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.33 -0.856 . . . . 0.0 109.333 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.85 -42.41 84.38 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.304 -0.873 . . . . 0.0 110.076 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 46.6 m -64.38 -46.44 83.34 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.893 -1.129 . . . . 0.0 109.47 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 24.9 m -64.87 -45.79 84.57 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.158 -0.964 . . . . 0.0 108.635 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.61 -39.94 95.65 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . 0.497 HD22 ' NZ ' ' A' ' 149' ' ' LYS . 8.9 t30 -49.9 -44.99 50.4 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.274 -0.891 . . . . 0.0 108.674 179.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.2 m -61.49 -42.05 98.2 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.679 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.5 -39.07 88.49 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.302 -0.873 . . . . 0.0 109.584 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.701 HE22 HD21 ' A' ' 132' ' ' LEU . 37.9 mm-40 -60.27 -37.55 80.79 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 118.812 -1.155 . . . . 0.0 108.096 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.497 ' NZ ' HD22 ' A' ' 145' ' ' ASN . 21.0 mttt -61.86 -41.41 97.81 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.436 -0.79 . . . . 0.0 109.471 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -58.42 -42.44 87.26 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.086 -1.009 . . . . 0.0 108.675 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 31.3 mm -64.59 -41.36 92.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 178.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 12.8 tttm -57.61 -39.87 77.85 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.51 ' HA ' HD12 ' A' ' 156' ' ' ILE . 68.0 t80 -59.18 -44.17 92.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.345 -0.847 . . . . 0.0 108.778 179.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . . . . . . . . . 3.8 m -61.9 -50.7 71.14 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.303 -0.873 . . . . 0.0 108.725 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -63.06 -33.36 75.27 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.466 -0.771 . . . . 0.0 109.573 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 153' ' ' TYR . 11.7 mt -58.12 -49.17 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 121.146 -0.972 . . . . 0.0 110.163 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.919 ' CE2' HD13 ' A' ' 108' ' ' LEU . 71.1 t80 -64.05 -43.84 94.28 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 119.058 -1.057 . . . . 0.0 108.353 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.661 HD22 HD22 ' A' ' 121' ' ' LEU . 35.9 tp -59.57 -39.79 85.23 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.2 m -60.45 -42.82 96.94 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.172 -0.955 . . . . 0.0 109.433 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -62.4 -37.36 85.49 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.113 -0.992 . . . . 0.0 109.208 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 64.9 mt -59.42 -39.07 82.3 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.998 -1.064 . . . . 0.0 108.4 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.48 80.98 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -81.33 -12.81 58.92 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.306 -0.871 . . . . 0.0 109.165 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.7 0.11 69.67 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.839 -1.304 . . . . 0.0 109.839 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -94.89 145.96 24.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.156 -1.202 . . . . 0.0 109.797 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 38.0 mm -117.14 136.3 54.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.409 -0.807 . . . . 0.0 109.441 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.284 0 N-CA-C 109.516 -1.434 . . . . 0.0 109.516 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 176' ' ' ASN . . . . . 0.471 ' OD1' ' O ' ' B' ' 176' ' ' ASN . 37.1 p-10 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 3.1 t -106.2 113.27 63.62 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.292 -0.88 . . . . 0.0 109.273 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -49.82 143.94 21.96 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.962 1.774 . . . . 0.0 112.11 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -109.04 152.1 25.46 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.381 -0.824 . . . . 0.0 109.508 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 83.0 mt -57.92 -37.12 59.0 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.23 -0.919 . . . . 0.0 109.375 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 181' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' B' ' 182' ' ' ALA . 25.4 mttm -58.11 -34.41 70.18 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.321 -0.862 . . . . 0.0 109.398 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 182' ' ' ALA . . . . . 0.485 ' O ' ' O ' ' B' ' 181' ' ' LYS . . . 55.61 111.18 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.321 -0.862 . . . . 0.0 109.64 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -58.05 -38.04 75.56 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.241 -0.912 . . . . 0.0 109.43 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -109.83 153.71 24.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.383 -0.823 . . . . 0.0 109.475 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 185' ' ' VAL . . . . . 0.456 HG12 ' H ' ' B' ' 187' ' ' VAL . 24.3 t -114.07 136.31 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.382 -0.824 . . . . 0.0 109.436 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -55.73 -35.41 66.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.371 -0.831 . . . . 0.0 109.793 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 187' ' ' VAL . . . . . 0.456 ' H ' HG12 ' B' ' 185' ' ' VAL . 78.0 t -61.15 -41.31 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.147 -0.971 . . . . 0.0 109.593 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.552 ' OD2' ' NE2' ' A' ' 43' ' ' GLN . 55.7 t0 -59.82 -35.19 74.2 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 120.855 -1.153 . . . . 0.0 109.613 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -59.82 -47.09 87.11 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.282 -0.886 . . . . 0.0 110.862 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . 0.405 ' H ' ' HG2' ' B' ' 190' ' ' GLU . 11.7 pt-20 -67.54 -41.06 84.91 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.118 -0.989 . . . . 0.0 110.301 -179.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -57.66 -41.17 80.95 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 120.75 -1.219 . . . . 0.0 109.425 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.38 -38.87 91.3 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.262 -0.899 . . . . 0.0 109.134 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.62 -40.49 95.05 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.286 -0.884 . . . . 0.0 109.136 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -61.24 -42.21 98.22 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.373 -0.829 . . . . 0.0 109.375 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.16 -41.75 89.11 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.178 -0.951 . . . . 0.0 109.097 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.96 -40.39 94.93 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.28 -0.887 . . . . 0.0 109.484 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.07 -35.78 82.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.196 -0.94 . . . . 0.0 109.431 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -62.11 -44.2 97.18 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.26 -0.9 . . . . 0.0 109.237 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . 0.74 ' CD2' HG21 ' A' ' 32' ' ' VAL . 61.3 tp -63.92 -42.69 97.33 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.234 -0.916 . . . . 0.0 109.772 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 200' ' ' ARG . . . . . 0.464 ' O ' ' OXT' ' B' ' 204' ' ' GLY . 57.8 mtp180 -59.03 -36.37 74.88 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.099 -1.001 . . . . 0.0 108.782 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.53 -36.37 83.61 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 202' ' ' LEU . . . . . 0.45 HD21 HG21 ' A' ' 56' ' ' ILE . 15.3 tp -59.24 -39.29 82.32 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.409 -0.807 . . . . 0.0 108.827 179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . 0.461 ' HD3' HD22 ' A' ' 29' ' ' LEU . 80.0 mtm180 -92.96 -2.63 55.6 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.342 -0.849 . . . . 0.0 109.388 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 204' ' ' GLY . . . . . 0.464 ' OXT' ' O ' ' B' ' 200' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.236 0 CA-C-O 118.004 -1.442 . . . . 0.0 109.534 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.933 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -59.93 -39.34 85.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 0.0 109.322 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -63.88 -38.79 92.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.221 -0.925 . . . . 0.0 109.312 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -59.16 -39.89 83.9 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.892 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -65.11 -39.39 93.05 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 178.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.29 -47.22 84.35 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.419 -0.8 . . . . 0.0 109.677 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -60.91 -40.6 93.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.1 -1.0 . . . . 0.0 109.281 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.521 ' CG1' HD13 ' A' ' 27' ' ' LEU . 53.5 t -62.42 -39.55 84.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.33 -0.856 . . . . 0.0 109.47 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 68.9 t -60.98 -41.8 90.49 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 121.216 -0.928 . . . . 0.0 108.653 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.7 -45.54 78.47 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.306 -0.871 . . . . 0.0 109.102 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.07 -33.33 75.26 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.76 97.16 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.24 -0.912 . . . . 0.0 108.946 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -61.51 -40.79 95.88 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.236 -0.915 . . . . 0.0 108.558 179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -59.14 -39.17 81.55 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.441 -0.787 . . . . 0.0 109.054 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -62.64 -42.54 99.66 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.523 -0.736 . . . . 0.0 109.539 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -58.78 -39.41 80.95 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.218 -0.927 . . . . 0.0 109.0 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -61.42 -32.92 72.88 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.404 -0.81 . . . . 0.0 109.357 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.2 t -84.12 -14.41 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -0.883 . . . . 0.0 109.722 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.12 23.61 34.35 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.2 mt -95.29 54.11 1.59 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.282 -1.128 . . . . 0.0 109.02 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.1 -27.55 67.48 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.407 ' N ' HD13 ' A' ' 22' ' ' ILE . 9.0 mm -58.2 -55.13 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 120.91 -1.347 . . . . 0.0 109.765 -178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mp -68.07 -33.81 63.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.007 -1.058 . . . . 0.0 108.565 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.2 -46.18 94.21 Favored Glycine 0 N--CA 1.487 2.095 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.738 ' CE2' HD11 ' A' ' 29' ' ' LEU . 66.9 t80 -60.98 -48.25 82.69 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.101 -1.235 . . . . 0.0 109.835 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.521 ' CB ' ' SD ' ' A' ' 93' ' ' MET . 87.5 t80 -67.61 -45.62 74.9 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.226 -0.921 . . . . 0.0 110.943 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.73 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -67.39 -36.57 81.59 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.902 -1.124 . . . . 0.0 110.133 -179.019 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.67 ' NE2' HG22 ' A' ' 55' ' ' THR . 84.8 mt-30 -62.8 -40.26 96.8 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.823 -1.173 . . . . 0.0 108.931 178.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.738 HD11 ' CE2' ' A' ' 25' ' ' TYR . 85.4 mt -61.04 -38.2 85.3 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.663 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 78.7 t80 -65.83 -36.02 82.3 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.158 -0.964 . . . . 0.0 109.166 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.51 -45.93 92.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.305 -0.872 . . . . 0.0 110.234 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.404 ' H ' HG12 ' A' ' 32' ' ' VAL . 2.0 p -65.6 -41.95 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 120.769 -1.207 . . . . 0.0 108.93 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.515 ' OE2' ' NH1' ' B' ' 203' ' ' ARG . 97.5 mt-10 -61.65 -35.61 78.43 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.87 -1.144 . . . . 0.0 108.917 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.892 HD23 ' HB2' ' A' ' 5' ' ' ALA . 39.7 tp -63.41 -42.06 98.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.377 -0.827 . . . . 0.0 109.607 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.9 mt -63.89 -48.2 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 O-C-N 121.167 -0.958 . . . . 0.0 109.804 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.3 mp -64.17 -35.57 81.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.321 -0.862 . . . . 0.0 109.3 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.0 m -80.79 -0.35 38.32 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.305 -0.872 . . . . 0.0 108.72 179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.933 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 84.5 tt0 -94.48 150.66 20.04 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.627 -0.671 . . . . 0.0 109.378 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.36 150.09 15.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.162 -0.961 . . . . 0.0 109.036 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -58.38 129.04 40.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.25 -0.906 . . . . 0.0 110.018 -178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -122.93 171.55 9.14 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.3 p -57.15 171.62 0.36 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.32 -0.862 . . . . 0.0 110.378 -178.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -55.5 -24.0 29.24 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.767 -0.583 . . . . 0.0 111.079 -178.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -49.22 -41.62 37.84 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.684 -1.26 . . . . 0.0 109.509 -178.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -35.62 79.61 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.88 -1.138 . . . . 0.0 109.262 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.0 m -59.31 -42.84 92.31 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.273 -0.892 . . . . 0.0 109.39 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.33 -41.71 93.68 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.224 -0.922 . . . . 0.0 109.038 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.28 -39.51 90.69 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.412 -0.805 . . . . 0.0 109.356 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.37 -40.95 98.11 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.318 -0.864 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.4 m -60.61 -40.19 90.95 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.236 -0.915 . . . . 0.0 109.134 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.56 -39.22 92.95 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.335 -0.853 . . . . 0.0 109.649 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.09 -41.91 98.67 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.18 -0.95 . . . . 0.0 109.699 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.503 HD21 ' NH1' ' B' ' 198' ' ' ARG . 41.5 tp -62.45 -41.73 98.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.12 -0.987 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -62.77 -40.68 98.05 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.458 -0.776 . . . . 0.0 109.419 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.67 HG22 ' NE2' ' A' ' 28' ' ' GLN . 25.6 m -60.45 -42.41 96.08 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.529 -0.732 . . . . 0.0 109.934 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.706 HG21 HD21 ' B' ' 202' ' ' LEU . 86.8 mt -59.34 -47.3 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.113 -0.992 . . . . 0.0 109.04 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.572 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.9 mt-10 -61.89 -36.17 80.5 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -63.92 -36.1 82.84 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -60.58 -54.5 44.61 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.134 -0.979 . . . . 0.0 109.005 179.602 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.1 mttm -60.48 -39.16 86.63 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.114 -0.991 . . . . 0.0 108.82 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -82.37 -2.22 52.29 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.446 -0.783 . . . . 0.0 109.831 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 58' ' ' ALA . 84.5 tt0 -49.16 -31.62 8.65 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.164 -0.96 . . . . 0.0 110.014 -179.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.485 HG23 ' HB3' ' A' ' 67' ' ' SER . 29.7 mm -67.13 -40.24 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.015 -1.053 . . . . 0.0 109.165 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.62 -5.81 10.34 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.23 -1.548 . . . . 0.0 109.23 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 89.79 -7.99 80.69 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.854 -1.298 . . . . 0.0 109.854 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -67.22 -47.2 71.54 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.047 -1.266 . . . . 0.0 108.856 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.485 ' HB3' HG23 ' A' ' 63' ' ' ILE . 10.9 t -73.48 -30.84 63.42 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -58.68 -30.84 67.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.566 -0.709 . . . . 0.0 109.98 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.27 -36.8 66.5 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.036 -1.04 . . . . 0.0 109.788 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -106.05 134.35 49.32 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.26 -0.9 . . . . 0.0 109.208 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 50.08 46.36 24.65 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.06 -1.025 . . . . 0.0 108.362 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.4 t -50.56 -39.52 49.58 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.532 -0.73 . . . . 0.0 110.226 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.587 ' OD1' ' N ' ' A' ' 74' ' ' LYS . 32.9 p-10 -63.18 -40.9 98.87 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.111 -0.993 . . . . 0.0 110.128 -179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.587 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 56.4 tttt -62.75 -39.35 93.87 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.224 -0.922 . . . . 0.0 109.775 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.6 p -64.48 -42.65 95.76 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.281 -0.887 . . . . 0.0 109.891 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.1 mt -68.41 -39.6 81.55 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.322 -0.861 . . . . 0.0 109.825 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 77.5 m-70 -60.91 -45.1 96.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.313 -0.867 . . . . 0.0 110.455 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.62 -49.99 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.053 -1.029 . . . . 0.0 110.133 -179.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.453 ' O ' HD12 ' A' ' 83' ' ' ILE . 70.6 mtm -68.56 -46.55 69.17 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.186 -0.947 . . . . 0.0 110.819 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.437 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 80.5 m-20 -69.82 -42.95 72.98 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.081 -1.012 . . . . 0.0 111.482 -178.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 39.4 m -65.73 -49.63 67.73 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.109 -0.994 . . . . 0.0 111.884 -177.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.424 HD23 ' HG3' ' A' ' 88' ' ' LYS . 15.2 mt -72.49 -33.93 67.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.844 -1.16 . . . . 0.0 111.084 -178.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 79' ' ' MET . 86.1 mt -79.31 -34.49 16.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.065 -1.022 . . . . 0.0 111.456 -178.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 73.3 m80 -92.87 -37.97 11.99 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.872 -1.143 . . . . 0.0 111.757 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -84.25 107.6 16.65 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.721 -1.237 . . . . 0.0 110.372 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.25 -36.93 83.54 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.455 -0.778 . . . . 0.0 110.223 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.19 -45.2 95.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.056 -1.027 . . . . 0.0 108.843 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.424 ' HG3' HD23 ' A' ' 82' ' ' LEU . 5.8 tptm -68.57 -34.35 75.67 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.27 -47.68 55.5 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.449 -0.782 . . . . 0.0 110.315 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -61.53 -48.34 81.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.081 -1.012 . . . . 0.0 110.576 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.666 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.4 pp -61.76 -41.21 89.67 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 120.995 -1.066 . . . . 0.0 108.926 -179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.666 ' N ' HD12 ' A' ' 91' ' ' ILE . 46.2 t80 -63.67 -48.53 76.8 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.521 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 75.8 mtm -65.73 -41.9 91.66 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.359 -0.838 . . . . 0.0 109.307 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.88 -39.75 93.02 Favored 'General case' 0 C--N 1.305 -1.333 0 O-C-N 121.273 -0.892 . . . . 0.0 109.187 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -59.83 -44.98 93.78 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.388 -0.82 . . . . 0.0 109.546 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.547 ' HE2' HD22 ' A' ' 100' ' ' LEU . 64.1 t80 -63.69 -44.42 93.73 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.269 -0.895 . . . . 0.0 109.709 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.41 ' HB ' ' CE1' ' A' ' 128' ' ' PHE . 18.1 p -61.96 -42.83 99.56 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.262 -0.899 . . . . 0.0 109.964 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 91.1 mtp -64.78 -43.43 93.24 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.076 -1.015 . . . . 0.0 109.273 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.5 m -70.11 -42.12 73.09 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.421 -0.8 . . . . 0.0 109.436 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.547 HD22 ' HE2' ' A' ' 96' ' ' PHE . 30.9 tp -63.64 -42.92 98.1 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.356 -0.84 . . . . 0.0 109.704 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.672 ' CE2' HD11 ' A' ' 105' ' ' LEU . 82.8 t80 -61.01 -42.83 99.21 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.323 -0.861 . . . . 0.0 109.758 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -58.83 -41.39 86.77 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.278 -0.889 . . . . 0.0 109.522 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.31 -39.3 92.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.284 -0.885 . . . . 0.0 109.669 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.552 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 39.6 mmtt -62.6 -40.44 96.92 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.235 -0.916 . . . . 0.0 109.489 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.672 HD11 ' CE2' ' A' ' 101' ' ' TYR . 82.2 mt -60.17 -44.62 94.88 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.259 -0.901 . . . . 0.0 109.507 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -60.71 -39.46 88.63 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.197 -0.939 . . . . 0.0 109.845 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.58 ' O ' ' N ' ' A' ' 111' ' ' GLY . 94.7 mt-30 -62.89 -40.89 98.95 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.204 -0.935 . . . . 0.0 110.027 -179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 79.6 mt -64.84 -37.42 87.56 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.84 -1.163 . . . . 0.0 109.728 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -78.12 -53.31 7.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.252 -0.905 . . . . 0.0 110.742 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -98.5 -22.91 15.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.232 -0.917 . . . . 0.0 110.897 -178.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.58 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -88.6 153.32 23.95 Favored Glycine 0 N--CA 1.492 2.432 0 C-N-CA 119.494 -1.336 . . . . 0.0 110.017 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.93 153.39 72.7 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 122.806 2.337 . . . . 0.0 111.902 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.736 ' CZ2' HG21 ' A' ' 166' ' ' ILE . 15.3 m-90 -92.46 115.06 27.76 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.122 -0.986 . . . . 0.0 109.76 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 43.8 t0 -135.57 167.31 21.34 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.341 -0.849 . . . . 0.0 109.211 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.46 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 3.9 m -62.27 -32.56 55.24 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.367 -0.833 . . . . 0.0 109.623 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 115' ' ' VAL . 69.2 mtm -60.13 -39.9 87.88 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.288 -0.882 . . . . 0.0 109.923 -179.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.569 ' CD2' ' N ' ' A' ' 117' ' ' LEU . 2.6 mm? -65.29 -38.79 91.31 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.217 -0.927 . . . . 0.0 109.403 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.479 ' HE3' HD13 ' A' ' 161' ' ' LEU . 34.2 mttp -60.93 -42.79 98.86 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.292 -0.88 . . . . 0.0 109.539 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -62.12 -42.36 99.16 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.331 -0.856 . . . . 0.0 109.879 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.552 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 8.2 t -64.52 -43.4 94.16 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.26 -0.9 . . . . 0.0 109.807 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 1.036 HD23 HD21 ' A' ' 158' ' ' LEU . 41.1 tp -62.3 -43.08 99.66 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.297 -0.877 . . . . 0.0 109.495 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.677 ' CE2' HD13 ' A' ' 158' ' ' LEU . 41.4 m95 -61.93 -39.74 93.1 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.144 -0.972 . . . . 0.0 108.962 179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.6 m -64.38 -41.16 96.84 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 121.218 -0.926 . . . . 0.0 108.735 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 70.8 m -59.31 -44.26 92.56 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.346 -0.846 . . . . 0.0 109.269 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.0 -38.53 77.05 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.19 -0.944 . . . . 0.0 108.926 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.531 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 90.5 m-20 -60.23 -39.06 85.37 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.347 -0.846 . . . . 0.0 109.041 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 75.8 mt -61.24 -42.98 99.55 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.398 -0.813 . . . . 0.0 109.259 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.41 ' CE1' ' HB ' ' A' ' 97' ' ' THR . 26.4 m-85 -66.55 -43.4 85.2 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.36 -0.837 . . . . 0.0 109.81 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.0 m -64.7 -38.01 89.55 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.335 -0.853 . . . . 0.0 110.246 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.663 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 60.0 m -67.32 -49.54 63.72 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.214 -0.929 . . . . 0.0 110.249 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 1.1 pp -77.29 -43.27 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.091 -1.005 . . . . 0.0 110.285 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.581 HD21 ' OE1' ' A' ' 148' ' ' GLN . 44.5 tp -62.22 -40.99 97.97 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.901 -1.124 . . . . 0.0 109.808 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -68.48 -49.49 59.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.274 -0.891 . . . . 0.0 111.048 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.521 HD23 ' CZ3' ' A' ' 135' ' ' TRP . 56.9 tp -61.91 -47.1 86.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.909 -1.119 . . . . 0.0 110.652 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.521 ' CZ3' HD23 ' A' ' 134' ' ' LEU . 11.9 m-90 -88.01 4.66 44.25 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.042 -1.036 . . . . 0.0 110.462 -179.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -49.18 -37.41 22.47 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.221 -0.924 . . . . 0.0 109.514 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -62.78 -26.24 68.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.222 -0.924 . . . . 0.0 109.243 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.417 HD22 ' HA ' ' A' ' 135' ' ' TRP . 56.4 m-80 -89.3 -0.74 57.7 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.273 -0.892 . . . . 0.0 109.853 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.496 HG22 ' OG ' ' A' ' 143' ' ' SER . 16.1 mm -102.67 143.17 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.016 -1.053 . . . . 0.0 109.229 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.415 ' N ' ' OG ' ' A' ' 143' ' ' SER . 28.9 t -77.97 154.03 31.93 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.301 -0.874 . . . . 0.0 109.186 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -55.16 -41.99 72.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.198 -0.939 . . . . 0.0 109.762 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 39.5 m -72.87 -44.18 61.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.879 -1.138 . . . . 0.0 109.454 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.496 ' OG ' HG22 ' A' ' 139' ' ' ILE . 87.8 p -63.46 -41.53 98.62 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.24 -0.913 . . . . 0.0 109.373 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.527 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.5 OUTLIER -62.03 -39.05 90.99 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 179.07 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . 0.677 ' ND2' ' NZ ' ' A' ' 149' ' ' LYS . 0.1 OUTLIER -58.1 -42.61 86.04 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.549 -0.719 . . . . 0.0 109.366 179.658 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.4 m -60.96 -47.4 86.6 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.251 -0.906 . . . . 0.0 110.129 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.478 HD12 ' H ' ' A' ' 147' ' ' LEU . 6.6 mp -63.69 -38.8 92.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.083 -1.011 . . . . 0.0 108.941 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.618 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -62.19 -36.95 83.49 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.332 -0.855 . . . . 0.0 109.282 179.641 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . 0.677 ' NZ ' ' ND2' ' A' ' 145' ' ' ASN . 29.3 mttp -62.74 -42.55 99.72 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.125 -0.984 . . . . 0.0 109.464 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -63.23 -42.05 99.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.182 -0.949 . . . . 0.0 109.381 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.14 -41.51 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 O-C-N 121.333 -0.854 . . . . 0.0 109.357 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -59.31 -40.68 86.99 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.331 -0.856 . . . . 0.0 108.799 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.42 ' HA ' HD12 ' A' ' 156' ' ' ILE . 73.1 t80 -58.51 -43.68 89.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.406 -0.809 . . . . 0.0 109.146 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 4.2 m -65.4 -50.33 65.89 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.293 -0.879 . . . . 0.0 108.857 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -60.23 -35.97 76.65 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 153' ' ' TYR . 13.8 mt -58.49 -41.9 82.99 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 O-C-N 121.435 -0.791 . . . . 0.0 109.535 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.509 ' CE2' HD11 ' A' ' 161' ' ' LEU . 74.1 t80 -62.6 -40.18 96.11 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.288 -0.883 . . . . 0.0 108.677 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 1.036 HD21 HD23 ' A' ' 121' ' ' LEU . 88.1 mt -58.83 -40.96 85.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.204 -0.935 . . . . 0.0 109.188 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.7 m -62.11 -40.64 96.55 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.2 -0.938 . . . . 0.0 109.205 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.435 ' HZ1' ' HA3' ' A' ' 167' ' ' GLY . 52.4 mtmt -61.82 -38.61 88.8 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.192 -0.942 . . . . 0.0 109.257 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.509 HD11 ' CE2' ' A' ' 157' ' ' TYR . 73.3 mt -62.64 -37.47 86.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.166 -0.959 . . . . 0.0 108.801 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.74 84.65 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.346 -0.846 . . . . 0.0 109.169 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -81.84 -9.78 59.51 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.325 -0.859 . . . . 0.0 109.398 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 89.53 3.3 74.97 Favored Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -94.73 141.33 28.75 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.227 -1.16 . . . . 0.0 109.673 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.736 HG21 ' CZ2' ' A' ' 113' ' ' TRP . 36.1 mm -115.81 134.45 59.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.413 -0.805 . . . . 0.0 109.372 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 166' ' ' ILE . . . . . . . . 0 N--CA 1.49 2.272 0 CA-C-O 118.047 -1.418 . . . . 0.0 109.564 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 47.2 t30 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.255 0.55 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 177' ' ' VAL . . . . . . . . . . . . . 45.4 t -67.9 135.43 92.04 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.233 -0.917 . . . . 0.0 109.098 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -64.32 146.78 90.53 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 C-N-CA 121.877 1.718 . . . . 0.0 112.187 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . 0.496 ' O ' ' O ' ' B' ' 182' ' ' ALA . 21.9 pt-20 -66.97 -18.33 65.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.311 -0.868 . . . . 0.0 109.79 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 84.9 mt -54.88 -40.17 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.103 -0.998 . . . . 0.0 109.708 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -59.85 -38.5 82.27 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.257 -0.902 . . . . 0.0 109.85 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 182' ' ' ALA . . . . . 0.496 ' O ' ' O ' ' B' ' 179' ' ' GLU . . . -154.24 155.22 34.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.051 -1.031 . . . . 0.0 109.811 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -86.22 150.14 24.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.315 -0.866 . . . . 0.0 109.429 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.46 142.08 40.09 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.135 -0.978 . . . . 0.0 109.459 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 41.0 t -121.59 138.38 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.481 -0.762 . . . . 0.0 109.554 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -83.41 158.27 22.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.252 -0.905 . . . . 0.0 109.59 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.95 -40.1 87.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.373 -0.83 . . . . 0.0 109.656 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.78 -34.65 73.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.992 -1.067 . . . . 0.0 109.742 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -57.12 -47.72 80.41 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.25 -0.906 . . . . 0.0 110.666 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -69.07 -41.47 77.5 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.119 -0.988 . . . . 0.0 110.173 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -58.75 -41.29 86.18 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.844 -1.16 . . . . 0.0 109.57 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.12 -38.51 90.89 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.126 -0.984 . . . . 0.0 109.215 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -59.22 -41.44 88.65 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.204 -0.935 . . . . 0.0 108.857 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -62.07 -40.55 96.18 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.278 -0.889 . . . . 0.0 109.166 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 43.7 tp -57.96 -39.64 78.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.337 -0.852 . . . . 0.0 109.435 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.74 98.66 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.926 . . . . 0.0 109.268 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 197' ' ' GLN . . . . . 0.408 ' HG3' HH21 ' B' ' 200' ' ' ARG . 51.2 tt0 -65.14 -35.62 81.69 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.248 -0.908 . . . . 0.0 109.232 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . 0.572 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 63.9 ttt-85 -62.4 -42.26 99.29 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.246 -0.909 . . . . 0.0 109.363 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.51 -44.19 96.98 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.276 -0.89 . . . . 0.0 109.478 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 200' ' ' ARG . . . . . 0.408 HH21 ' HG3' ' B' ' 197' ' ' GLN . 33.5 mtm105 -60.12 -36.94 78.58 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.167 -0.958 . . . . 0.0 108.966 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.02 82.41 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 202' ' ' LEU . . . . . 0.706 HD21 HG21 ' A' ' 56' ' ' ILE . 17.5 tp -59.97 -38.49 82.67 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.393 -0.817 . . . . 0.0 108.855 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . 0.732 ' HD3' HD22 ' A' ' 29' ' ' LEU . 56.9 mtm180 -87.52 -9.95 53.06 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.341 -0.849 . . . . 0.0 109.356 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 CA-C-O 118.004 -1.442 . . . . 0.0 109.499 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.508 ' N ' ' NH2' ' A' ' 41' ' ' ARG . 87.8 mtp . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.539 ' N ' ' OE2' ' A' ' 38' ' ' GLU . . . -59.18 -40.79 86.76 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.23 -0.919 . . . . 0.0 109.08 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -63.43 -38.3 90.62 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.163 -0.96 . . . . 0.0 108.973 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -57.08 -39.84 75.74 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.812 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.04 -40.01 95.36 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.22 96.65 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.437 -0.789 . . . . 0.0 109.26 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.424 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.12 -41.64 93.05 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.248 -0.908 . . . . 0.0 108.641 179.621 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.3 t -60.84 -37.44 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.373 -0.83 . . . . 0.0 109.12 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.63 -37.99 77.14 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.2 98.07 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.3 p -69.98 -34.85 73.89 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.308 -0.87 . . . . 0.0 108.869 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.461 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -56.31 -45.8 80.13 Favored 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -64.61 -41.99 95.84 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.317 -0.864 . . . . 0.0 109.14 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -60.55 -42.61 96.92 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.317 -0.864 . . . . 0.0 109.907 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -61.66 -41.23 97.25 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.153 -0.967 . . . . 0.0 109.383 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.485 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 20.2 t70 -59.02 -38.11 78.5 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.15 -0.969 . . . . 0.0 108.908 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -60.9 -32.28 71.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.522 -0.736 . . . . 0.0 109.394 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 18' ' ' VAL . 48.0 t -84.12 -9.06 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.383 -0.823 . . . . 0.0 109.492 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.31 13.59 61.5 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.8 mt -95.88 47.93 1.11 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.421 -1.047 . . . . 0.0 109.114 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.68 -30.46 51.59 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.42 HD13 ' N ' ' A' ' 22' ' ' ILE . 8.3 mm -58.6 -51.06 76.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 O-C-N 121.185 -1.185 . . . . 0.0 109.593 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.1 mm -65.32 -42.27 93.35 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 O-C-N 121.128 -0.983 . . . . 0.0 108.875 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.553 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -59.91 -39.21 95.23 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.877 ' CE2' HD11 ' A' ' 29' ' ' LEU . 72.9 t80 -63.76 -47.41 81.1 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.961 -1.317 . . . . 0.0 110.573 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.67 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 72.1 t80 -60.34 -45.8 92.18 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.23 -0.919 . . . . 0.0 111.454 -178.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.553 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.9 pp -66.54 -33.93 76.78 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.608 -1.308 . . . . 0.0 110.044 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.486 ' N ' HD12 ' A' ' 27' ' ' LEU . 92.5 mt-30 -60.18 -40.31 89.54 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.65 -1.281 . . . . 0.0 108.208 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.877 HD11 ' CE2' ' A' ' 25' ' ' TYR . 87.5 mt -61.46 -38.81 88.57 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.663 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 86.4 t80 -66.23 -36.09 82.12 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.456 -0.778 . . . . 0.0 109.238 179.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.54 94.14 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.297 -0.877 . . . . 0.0 110.274 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.449 HG21 HD22 ' B' ' 199' ' ' LEU . 2.2 p -66.12 -42.8 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 120.812 -1.18 . . . . 0.0 109.168 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.67 -35.08 76.96 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.945 -1.097 . . . . 0.0 108.882 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.812 HD23 ' HB2' ' A' ' 5' ' ' ALA . 25.5 tp -64.03 -43.46 95.49 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.342 -0.848 . . . . 0.0 109.819 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 88.8 mt -61.54 -48.2 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 O-C-N 121.153 -0.967 . . . . 0.0 110.05 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.52 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.2 mp -65.1 -36.5 84.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.32 -0.863 . . . . 0.0 109.266 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.6 p -77.33 -19.53 56.21 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.314 -0.866 . . . . 0.0 108.873 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.59 ' OE2' ' NE ' ' A' ' 41' ' ' ARG . 84.5 tt0 -67.7 149.39 50.06 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.702 -0.624 . . . . 0.0 109.934 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.61 150.02 20.21 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.398 -0.814 . . . . 0.0 109.373 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -58.78 131.16 50.11 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.283 -0.886 . . . . 0.0 110.007 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.59 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 75.1 mtt180 -123.05 170.42 10.18 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.68 -0.638 . . . . 0.0 109.484 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.0 p -57.77 171.3 0.5 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.231 -0.918 . . . . 0.0 109.678 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.12 -26.13 48.77 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.58 -0.7 . . . . 0.0 110.715 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -52.71 -40.88 63.4 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.775 -1.203 . . . . 0.0 109.402 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.0 ttp -64.31 -36.4 83.98 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.124 -0.985 . . . . 0.0 108.641 179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.656 HG21 ' OE2' ' B' ' 192' ' ' GLU . 28.1 m -59.64 -40.43 87.62 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.462 -0.774 . . . . 0.0 108.961 179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.55 98.84 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.171 -0.956 . . . . 0.0 108.727 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.0 -36.3 83.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.285 -0.884 . . . . 0.0 109.093 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.62 -40.92 98.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.226 -0.921 . . . . 0.0 108.941 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.7 m -61.71 -41.89 98.21 Favored 'General case' 0 C--N 1.305 -1.326 0 O-C-N 121.364 -0.835 . . . . 0.0 109.148 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -61.41 -40.77 95.6 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.301 -0.874 . . . . 0.0 109.052 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 52' ' ' LEU . 32.2 tp -59.64 -40.72 88.61 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.335 -0.853 . . . . 0.0 109.109 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.799 HD21 HH11 ' B' ' 198' ' ' ARG . 26.5 tp -60.02 -40.32 88.89 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.335 -0.853 . . . . 0.0 108.705 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -59.89 -39.49 85.53 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.7 m -60.38 -41.58 94.05 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.633 -0.667 . . . . 0.0 109.62 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.643 HG21 HD22 ' B' ' 202' ' ' LEU . 84.1 mt -59.62 -55.09 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.187 -0.946 . . . . 0.0 109.247 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.575 ' OE2' ' NZ ' ' A' ' 61' ' ' LYS . 85.6 tt0 -62.61 -38.0 88.49 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.593 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -69.23 -31.4 69.95 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.428 -0.795 . . . . 0.0 108.91 179.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 55' ' ' THR . 84.8 t80 -59.23 -54.17 49.97 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.244 -0.91 . . . . 0.0 109.481 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.652 ' HE3' HD11 ' B' ' 202' ' ' LEU . 70.4 mttt -62.46 -43.27 99.23 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.126 -0.984 . . . . 0.0 109.654 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.575 ' NZ ' ' OE2' ' A' ' 57' ' ' GLU . 19.5 mttp -82.77 -2.98 55.94 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.259 -0.901 . . . . 0.0 110.103 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.5 tt0 -50.01 -33.94 19.62 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.195 -0.941 . . . . 0.0 109.997 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.2 mt -68.06 -41.09 84.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.131 -0.981 . . . . 0.0 109.744 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.86 -5.37 84.05 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.92 0.1 81.59 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.793 -1.323 . . . . 0.0 109.793 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -68.26 -46.9 69.15 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.115 -1.226 . . . . 0.0 109.41 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.8 t -64.6 -39.17 93.25 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.68 -0.638 . . . . 0.0 109.491 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 68' ' ' GLU . 47.0 mp0 -65.23 -28.55 69.44 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.452 -0.78 . . . . 0.0 109.934 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -39.22 -37.4 0.41 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.341 -0.849 . . . . 0.0 109.854 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -112.5 132.84 54.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.402 -0.811 . . . . 0.0 109.073 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 51.02 48.34 23.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.097 -1.002 . . . . 0.0 109.092 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.2 p -57.59 -36.48 71.79 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.213 -0.929 . . . . 0.0 110.023 -179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.47 -42.38 96.09 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.958 -1.089 . . . . 0.0 109.65 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -70.77 -48.34 54.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.283 -0.886 . . . . 0.0 110.536 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.9 m -61.61 -44.13 97.57 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.053 -1.029 . . . . 0.0 110.114 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 76' ' ' LEU . 95.4 mt -66.71 -36.38 82.36 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.32 -0.862 . . . . 0.0 109.807 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' A' ' 81' ' ' THR . 73.9 t60 -60.52 -45.49 93.65 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.342 -0.849 . . . . 0.0 110.007 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.55 -49.78 62.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.042 -1.036 . . . . 0.0 109.981 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 96.7 mmm -67.98 -46.32 71.68 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.283 -0.885 . . . . 0.0 110.212 -179.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.597 ' OD1' ' ND1' ' A' ' 84' ' ' HIS . 55.1 t-20 -68.02 -43.87 77.8 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.141 -0.974 . . . . 0.0 111.097 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.63 HG22 ' HD2' ' A' ' 88' ' ' LYS . 37.5 m -68.13 -47.66 67.5 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.165 -0.96 . . . . 0.0 111.83 -178.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 81.7 mt -70.27 -34.09 72.38 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.804 -1.185 . . . . 0.0 111.047 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 96.9 mt -78.58 -34.25 17.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.051 -1.031 . . . . 0.0 110.951 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.597 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 78.8 m80 -91.72 -27.7 17.89 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.024 -1.048 . . . . 0.0 111.231 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -87.76 108.0 18.92 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.728 -1.233 . . . . 0.0 109.724 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.436 ' NE2' ' CD2' ' A' ' 134' ' ' LEU . 63.3 tt0 -62.19 -39.62 93.31 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.505 -0.747 . . . . 0.0 111.173 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.77 -44.43 96.9 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.962 -1.087 . . . . 0.0 110.181 -178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.63 ' HD2' HG22 ' A' ' 81' ' ' THR . 37.7 mttt -63.88 -30.99 72.02 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.158 -0.964 . . . . 0.0 108.991 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.79 -45.58 67.66 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.249 -0.907 . . . . 0.0 110.134 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 31.0 tttt -63.51 -48.51 77.28 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.909 -1.119 . . . . 0.0 110.495 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.757 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -63.96 -40.15 88.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 120.987 -1.071 . . . . 0.0 108.502 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.757 ' N ' HD12 ' A' ' 91' ' ' ILE . 47.2 t80 -65.66 -48.36 72.38 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.67 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 71.1 mtm -68.74 -39.18 80.47 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.434 -0.791 . . . . 0.0 110.044 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.4 tp -60.43 -40.88 92.69 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.036 -1.04 . . . . 0.0 108.99 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -63.54 -44.17 95.0 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.32 -0.863 . . . . 0.0 109.171 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -64.09 -42.19 97.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.412 -0.805 . . . . 0.0 109.611 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 93' ' ' MET . 47.5 p -59.68 -43.89 93.84 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.165 -0.959 . . . . 0.0 109.801 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 96.2 mmm -63.76 -43.16 97.23 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.199 -0.938 . . . . 0.0 109.148 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.8 m -70.91 -38.21 72.98 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.533 -0.729 . . . . 0.0 109.795 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.586 HD21 ' SG ' ' A' ' 124' ' ' CYS . 28.7 tp -62.41 -42.6 99.56 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.257 -0.902 . . . . 0.0 110.152 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.822 ' CE2' HD11 ' A' ' 105' ' ' LEU . 88.3 t80 -67.9 -48.03 67.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.158 -0.964 . . . . 0.0 110.332 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.7 t-20 -59.11 -45.08 91.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.105 -0.997 . . . . 0.0 109.478 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -63.18 -37.93 89.18 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.319 -0.863 . . . . 0.0 109.388 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -60.73 -45.02 95.85 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.272 -0.892 . . . . 0.0 109.66 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.822 HD11 ' CE2' ' A' ' 101' ' ' TYR . 77.3 mt -59.73 -41.8 91.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.197 -0.939 . . . . 0.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -61.58 -38.62 88.21 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.175 -0.953 . . . . 0.0 109.598 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.581 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.5 mm-40 -62.03 -39.77 93.45 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.163 -0.96 . . . . 0.0 109.904 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.915 HD13 HD11 ' A' ' 161' ' ' LEU . 52.7 mt -65.28 -39.07 92.08 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.029 -1.045 . . . . 0.0 109.207 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -78.37 -53.24 7.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.407 -0.808 . . . . 0.0 110.367 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -85.33 -23.01 28.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.373 -0.829 . . . . 0.0 110.457 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -110.52 155.69 15.97 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 110.099 -1.201 . . . . 0.0 110.099 -179.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.61 150.58 83.78 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.803 2.335 . . . . 0.0 111.844 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.489 ' CZ2' HG21 ' A' ' 166' ' ' ILE . 0.4 OUTLIER -91.52 123.84 35.24 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.268 -0.895 . . . . 0.0 109.644 -179.638 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -134.35 166.11 23.59 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.259 -0.901 . . . . 0.0 109.334 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.7 m -63.93 -32.02 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 121.194 -0.941 . . . . 0.0 109.417 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.7 mtm -59.62 -40.31 87.14 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.457 -0.777 . . . . 0.0 109.633 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.87 -38.18 90.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.281 -0.887 . . . . 0.0 109.33 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -60.95 -41.27 95.97 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.193 -0.942 . . . . 0.0 109.117 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -62.27 -40.41 96.13 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.345 -0.847 . . . . 0.0 109.462 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.8 t -61.99 -41.43 98.03 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.255 -0.903 . . . . 0.0 109.691 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.446 HD23 HD22 ' A' ' 158' ' ' LEU . 17.2 tp -62.25 -43.16 99.46 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.238 -0.913 . . . . 0.0 109.293 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -57.09 -40.05 76.21 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.992 -1.068 . . . . 0.0 108.625 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 73.0 m -68.16 -42.39 80.14 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.324 -0.86 . . . . 0.0 108.887 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.586 ' SG ' HD21 ' A' ' 100' ' ' LEU . 53.5 m -60.11 -46.53 89.3 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.242 -0.911 . . . . 0.0 109.67 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 93.5 mt -60.23 -37.51 73.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.121 -0.987 . . . . 0.0 108.56 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -61.77 -39.25 91.0 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.36 -0.837 . . . . 0.0 109.256 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.9 mt -59.56 -44.82 93.17 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.211 -0.931 . . . . 0.0 109.288 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.736 ' CD1' HD11 ' A' ' 151' ' ' ILE . 35.8 t80 -68.66 -43.32 76.44 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.33 -0.856 . . . . 0.0 109.694 -179.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.6 m -64.22 -39.58 94.27 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.32 -0.862 . . . . 0.0 110.477 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.663 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 71.6 m -67.46 -49.96 61.27 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.015 -1.053 . . . . 0.0 110.018 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 79.1 mt -65.05 -46.15 92.25 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.153 -0.967 . . . . 0.0 109.366 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.732 HD21 HE22 ' A' ' 148' ' ' GLN . 40.7 tp -63.1 -39.16 93.88 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.46 -0.775 . . . . 0.0 109.693 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -58.41 -49.42 77.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.238 -0.914 . . . . 0.0 110.055 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.436 ' CD2' ' NE2' ' A' ' 86' ' ' GLN . 38.4 tp -64.59 -43.16 94.71 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.09 -1.007 . . . . 0.0 109.693 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -87.12 -1.2 57.71 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.374 -0.829 . . . . 0.0 110.297 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.587 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.3 OUTLIER -52.96 -35.52 58.99 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.151 -0.968 . . . . 0.0 109.861 -179.418 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -62.28 -26.25 68.3 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.245 -0.91 . . . . 0.0 109.185 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -89.55 -2.26 58.28 Favored 'General case' 0 C--N 1.304 -1.378 0 O-C-N 121.359 -0.838 . . . . 0.0 109.873 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.4 mm -104.61 141.55 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.166 -0.959 . . . . 0.0 109.532 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 51.0 m -77.51 155.19 31.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.377 -0.827 . . . . 0.0 108.822 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -55.61 -43.5 76.13 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.068 -1.02 . . . . 0.0 109.538 -179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 31.2 m -70.65 -42.79 70.37 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.923 -1.111 . . . . 0.0 108.88 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.7 t -58.97 -40.24 84.18 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -38.93 87.76 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -57.6 -41.1 80.53 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.48 -0.763 . . . . 0.0 109.386 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 93.5 p -64.18 -46.09 85.53 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.254 -0.904 . . . . 0.0 109.765 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 147' ' ' LEU . 10.3 mp -69.05 -43.35 74.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.088 -1.007 . . . . 0.0 108.977 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.732 HE22 HD21 ' A' ' 132' ' ' LEU . 0.2 OUTLIER -63.4 -35.58 80.88 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.196 -0.94 . . . . 0.0 108.564 179.173 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.58 -42.33 96.49 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.411 -0.806 . . . . 0.0 109.02 179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -60.36 -42.21 95.31 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.736 HD11 ' CD1' ' A' ' 128' ' ' PHE . 92.5 mt -61.88 -38.55 80.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -57.02 -42.18 79.92 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.636 ' HA ' HD12 ' A' ' 156' ' ' ILE . 70.2 t80 -59.14 -40.44 85.52 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . 0.667 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 64.3 m -60.33 -50.55 73.18 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 119.659 -0.816 . . . . 0.0 108.819 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -61.8 -36.86 82.33 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.26 -0.9 . . . . 0.0 109.198 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 153' ' ' TYR . 46.4 mt -58.34 -47.91 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 O-C-N 121.263 -0.898 . . . . 0.0 109.814 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.65 -38.15 90.02 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.446 HD22 HD23 ' A' ' 121' ' ' LEU . 46.8 tp -59.45 -46.55 88.43 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.632 -0.667 . . . . 0.0 109.38 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.1 m -64.16 -35.67 81.55 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.255 -0.903 . . . . 0.0 108.576 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.642 ' HZ2' ' C ' ' A' ' 167' ' ' GLY . 16.6 tttm -60.61 -41.74 95.41 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.915 HD11 HD13 ' A' ' 108' ' ' LEU . 88.8 mt -64.6 -35.54 81.33 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.18 -31.86 71.61 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.464 -0.772 . . . . 0.0 109.036 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 42.4 mttt -80.99 -10.65 59.68 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.307 -0.87 . . . . 0.0 109.331 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 90.73 1.54 73.67 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -94.8 139.81 30.77 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.142 -1.211 . . . . 0.0 109.73 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.489 HG21 ' CZ2' ' A' ' 113' ' ' TRP . 4.4 tp -126.54 135.59 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.384 -0.823 . . . . 0.0 109.523 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . 0.642 ' C ' ' HZ2' ' A' ' 160' ' ' LYS . . . . . . . . 0 N--CA 1.491 2.34 0 CA-C-O 117.965 -1.464 . . . . 0.0 109.586 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 177' ' ' VAL . . . . . 0.473 ' H ' HG22 ' B' ' 177' ' ' VAL . 0.2 OUTLIER -67.88 154.15 94.08 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.322 -0.861 . . . . 0.0 109.361 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -57.16 -21.47 43.1 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.684 2.256 . . . . 0.0 112.051 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.25 144.35 35.81 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.165 -0.96 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 70.2 mt -113.48 135.68 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.482 -0.761 . . . . 0.0 109.552 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 50.6 mttt -85.51 152.86 22.86 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.245 -0.91 . . . . 0.0 109.447 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -137.09 156.47 48.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.321 -0.862 . . . . 0.0 109.418 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . 0.578 ' NZ ' ' OE1' ' B' ' 192' ' ' GLU . 20.2 mttt -87.14 149.62 24.53 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.259 -0.901 . . . . 0.0 109.546 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -57.21 -36.38 70.8 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.297 -0.877 . . . . 0.0 109.95 -179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 185' ' ' VAL . . . . . 0.507 HG12 ' H ' ' B' ' 187' ' ' VAL . 21.2 t -124.06 132.45 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.38 -0.825 . . . . 0.0 109.805 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -62.55 -31.08 71.81 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.49 -0.757 . . . . 0.0 110.18 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 187' ' ' VAL . . . . . 0.507 ' H ' HG12 ' B' ' 185' ' ' VAL . 55.9 t -50.99 -43.0 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.273 -0.892 . . . . 0.0 110.222 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.15 -35.94 76.42 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.818 -1.176 . . . . 0.0 109.59 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 189' ' ' ASP . . . . . 0.425 ' HA ' ' HZ3' ' B' ' 183' ' ' LYS . 35.1 t0 -59.96 -46.72 88.52 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.326 -0.858 . . . . 0.0 110.846 -179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -67.28 -39.57 86.04 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.127 -0.983 . . . . 0.0 110.396 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 11.8 mttm -56.99 -42.98 81.23 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.658 -1.276 . . . . 0.0 109.364 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 192' ' ' GLU . . . . . 0.656 ' OE2' HG21 ' A' ' 46' ' ' THR . 96.6 mt-10 -65.51 -38.62 90.21 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.149 -0.969 . . . . 0.0 109.08 179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.63 -40.34 94.51 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.311 -0.868 . . . . 0.0 109.017 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -60.9 -41.78 96.77 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.36 -0.838 . . . . 0.0 109.363 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 195' ' ' LEU . . . . . 0.457 ' HG ' HD22 ' A' ' 53' ' ' LEU . 8.2 tt -59.38 -41.76 90.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.263 -0.898 . . . . 0.0 109.171 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.56 95.87 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.329 -0.857 . . . . 0.0 109.216 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.29 -35.53 81.29 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.276 -0.89 . . . . 0.0 109.248 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . 0.799 HH11 HD21 ' A' ' 53' ' ' LEU . 67.0 ttt180 -60.75 -43.38 98.02 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.189 -0.945 . . . . 0.0 109.194 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . 0.449 HD22 HG21 ' A' ' 32' ' ' VAL . 1.4 tp -63.26 -41.97 99.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.255 -0.903 . . . . 0.0 109.385 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 74.0 mtp85 -59.15 -39.01 81.08 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.256 -0.902 . . . . 0.0 109.188 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.8 -35.52 80.25 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.256 -0.903 . . . . 0.0 108.848 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 202' ' ' LEU . . . . . 0.652 HD11 ' HE3' ' A' ' 60' ' ' LYS . 15.7 tp -60.13 -39.88 87.86 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.465 -0.772 . . . . 0.0 109.192 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -102.12 4.67 39.82 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.342 -0.849 . . . . 0.0 109.566 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 CA-C-O 117.955 -1.469 . . . . 0.0 109.543 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tpp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.63 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -58.95 -40.08 83.61 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.165 -0.959 . . . . 0.0 109.142 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -63.67 -38.72 92.16 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.245 -0.91 . . . . 0.0 109.191 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -57.46 -41.59 80.86 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.128 -0.983 . . . . 0.0 108.596 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 1.066 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -65.28 -39.86 93.13 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 178.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.52 -44.42 97.1 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.393 -0.817 . . . . 0.0 109.681 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.446 ' C ' ' CD ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.52 -42.3 96.16 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.181 -0.95 . . . . 0.0 109.14 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.595 ' CG1' HD13 ' A' ' 27' ' ' LEU . 55.9 t -65.11 -37.99 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.257 -0.902 . . . . 0.0 109.797 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.561 HG22 HE22 ' A' ' 28' ' ' GLN . 79.0 t -60.64 -39.25 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 O-C-N 121.138 -0.976 . . . . 0.0 108.789 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.69 -41.91 91.85 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.36 -0.838 . . . . 0.0 108.943 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -70.28 -32.93 70.95 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.71 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -59.26 -44.95 92.37 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.191 -0.943 . . . . 0.0 108.698 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.05 -41.81 99.58 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.262 -0.899 . . . . 0.0 108.631 178.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -60.68 -40.25 91.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.411 -0.806 . . . . 0.0 109.215 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -61.55 -42.51 98.94 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.413 -0.805 . . . . 0.0 109.251 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.403 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 21.8 t70 -58.9 -38.8 79.71 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.268 -0.895 . . . . 0.0 108.823 179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -60.0 -30.05 68.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.379 -0.825 . . . . 0.0 109.232 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 18' ' ' VAL . 60.1 t -84.06 -3.51 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.426 -0.796 . . . . 0.0 109.797 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.43 11.82 63.8 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.1 mt -95.57 36.63 1.25 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.412 -1.052 . . . . 0.0 108.947 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -50.65 -32.78 25.29 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 -179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.2 mm -58.69 -48.01 87.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.069 -1.254 . . . . 0.0 109.335 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.5 mm -64.87 -44.19 96.27 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.211 -0.93 . . . . 0.0 109.105 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.9 -40.55 95.42 Favored Glycine 0 N--CA 1.488 2.129 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.763 ' CE2' HD11 ' A' ' 29' ' ' LEU . 66.0 t80 -62.59 -48.36 79.79 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.23 -1.159 . . . . 0.0 110.943 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.664 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 71.2 t80 -66.32 -47.12 74.56 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.017 -1.052 . . . . 0.0 110.818 -179.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 12' ' ' ALA . 1.7 pp -68.83 -35.65 77.22 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.021 -1.049 . . . . 0.0 110.095 -179.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.561 HE22 HG22 ' A' ' 9' ' ' VAL . 54.7 tp60 -60.46 -42.37 96.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.81 -1.181 . . . . 0.0 108.467 179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.763 HD11 ' CE2' ' A' ' 25' ' ' TYR . 76.7 mt -59.76 -42.21 92.73 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.622 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 73.3 t80 -63.59 -36.17 82.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.325 -0.86 . . . . 0.0 108.998 179.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.07 83.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.347 -0.845 . . . . 0.0 109.504 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.566 HG21 HD22 ' B' ' 199' ' ' LEU . 0.6 OUTLIER -66.51 -39.05 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.94 -1.1 . . . . 0.0 108.657 179.432 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.68 -35.5 78.18 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.797 -1.189 . . . . 0.0 108.302 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.066 HD23 ' HB2' ' A' ' 5' ' ' ALA . 22.4 tp -63.43 -41.47 98.68 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.567 -0.708 . . . . 0.0 109.318 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.8 mt -63.19 -48.15 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 O-C-N 121.205 -0.934 . . . . 0.0 110.074 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.5 mp -64.35 -36.69 84.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 109.409 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.7 p -74.79 -21.74 59.14 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.24 -0.913 . . . . 0.0 108.574 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.63 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 82.3 tt0 -73.02 150.81 42.09 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.335 0.588 . . . . 0.0 109.679 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -56.35 150.22 15.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.252 -0.905 . . . . 0.0 109.69 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -58.49 137.08 57.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.459 -0.776 . . . . 0.0 110.305 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.595 ' HE ' ' CD ' ' A' ' 38' ' ' GLU . 95.2 mtt-85 -121.93 170.37 9.87 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.701 -0.624 . . . . 0.0 109.48 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.7 t -57.35 170.99 0.45 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.245 -0.909 . . . . 0.0 110.319 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -56.61 -28.77 61.16 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.571 -0.706 . . . . 0.0 110.85 -178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -51.3 -38.9 55.4 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.83 -1.169 . . . . 0.0 109.149 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.577 ' O ' ' SD ' ' A' ' 45' ' ' MET . 5.3 tmm? -64.44 -37.69 88.41 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.233 -0.917 . . . . 0.0 108.839 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.1 m -59.39 -40.81 87.74 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.36 -0.838 . . . . 0.0 109.435 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.44 96.46 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.246 -0.909 . . . . 0.0 108.973 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 48' ' ' LEU . 85.1 mt -63.28 -37.32 86.77 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.312 -0.867 . . . . 0.0 109.32 179.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.02 93.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.274 -0.891 . . . . 0.0 108.864 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.2 m -62.01 -41.06 97.67 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.333 -0.854 . . . . 0.0 109.264 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.59 -42.48 98.92 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.227 -0.921 . . . . 0.0 109.529 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.4 mt -61.52 -39.34 90.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.182 -0.948 . . . . 0.0 109.149 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.53 HD12 HD12 ' A' ' 56' ' ' ILE . 37.6 tp -60.11 -40.15 88.69 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.258 -0.901 . . . . 0.0 108.809 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -60.22 -39.9 88.26 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.1 m -60.28 -41.49 93.43 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.62 -0.675 . . . . 0.0 109.536 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.61 HG21 HD22 ' B' ' 202' ' ' LEU . 80.9 mt -58.24 -51.16 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.164 -0.96 . . . . 0.0 108.848 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -61.45 -36.14 79.56 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.576 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -63.97 -33.89 76.75 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -59.4 -54.38 47.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.384 -0.822 . . . . 0.0 108.806 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -62.67 -40.17 96.23 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.252 -0.905 . . . . 0.0 108.939 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -82.15 -0.94 47.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.447 -0.783 . . . . 0.0 109.602 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.9 tt0 -47.65 -33.07 6.31 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.336 -0.853 . . . . 0.0 110.31 -179.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.978 HD11 ' SD ' ' A' ' 79' ' ' MET . 82.5 mt -67.49 -37.94 79.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.013 -1.054 . . . . 0.0 109.556 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.74 -5.25 12.39 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.416 ' H ' HG22 ' A' ' 63' ' ' ILE . . . 93.67 -6.59 74.1 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -64.52 -46.5 82.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.138 -1.213 . . . . 0.0 109.596 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.448 ' O ' ' O ' ' A' ' 70' ' ' GLU . 8.3 t -65.43 -31.39 72.46 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.911 . . . . 0.0 108.982 179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.16 -28.27 67.78 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.473 -0.767 . . . . 0.0 109.551 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.36 92.68 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.997 -1.064 . . . . 0.0 109.931 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.448 ' O ' ' O ' ' A' ' 67' ' ' SER . 95.5 mt-10 -135.83 146.26 47.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.23 -0.919 . . . . 0.0 110.018 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 49.16 40.91 18.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.403 -0.811 . . . . 0.0 109.348 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.7 p -65.01 -36.61 84.97 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.25 -0.906 . . . . 0.0 110.036 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.51 -42.09 95.67 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.147 -0.971 . . . . 0.0 109.816 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -66.85 -47.61 71.43 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.23 -0.919 . . . . 0.0 110.615 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 85.6 p -66.35 -40.89 90.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.034 -1.041 . . . . 0.0 109.973 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.0 mt -68.35 -39.88 81.72 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.37 -0.831 . . . . 0.0 110.206 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.421 ' O ' ' OG1' ' A' ' 81' ' ' THR . 32.6 t-80 -61.87 -45.52 93.41 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.188 -0.945 . . . . 0.0 110.504 -178.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.47 -49.57 69.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 120.937 -1.102 . . . . 0.0 110.494 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.978 ' SD ' HD11 ' A' ' 63' ' ' ILE . 88.9 mtp -67.92 -46.74 70.69 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.209 -0.932 . . . . 0.0 110.876 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.433 ' O ' ' ND1' ' A' ' 84' ' ' HIS . 20.2 m120 -69.04 -40.44 78.58 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.865 -1.147 . . . . 0.0 110.971 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.458 HG22 ' HD2' ' A' ' 88' ' ' LYS . 89.5 m -67.17 -49.64 63.98 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.947 -1.095 . . . . 0.0 111.768 -178.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.1 mt -74.56 -33.96 62.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.786 -1.197 . . . . 0.0 111.48 -178.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 91.4 mt -76.38 -38.03 32.04 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 120.882 -1.136 . . . . 0.0 111.106 -178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 79.5 m80 -82.28 -37.48 25.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.017 -1.052 . . . . 0.0 111.184 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.538 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 88.1 m-20 -84.96 108.05 17.39 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.845 -1.159 . . . . 0.0 110.077 -179.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -62.53 -38.77 91.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.468 -0.77 . . . . 0.0 110.348 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.98 -44.48 95.93 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.066 -1.021 . . . . 0.0 110.183 -179.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.538 ' NZ ' ' OD2' ' A' ' 85' ' ' ASP . 49.5 mttp -62.22 -30.97 71.46 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.145 -0.972 . . . . 0.0 108.651 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.29 -43.83 80.75 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.277 -0.89 . . . . 0.0 110.05 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.8 tttt -64.35 -48.45 75.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.048 -1.033 . . . . 0.0 111.36 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.099 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -64.06 -38.66 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 120.676 -1.265 . . . . 0.0 109.14 -178.596 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 1.099 ' N ' HD13 ' A' ' 91' ' ' ILE . 56.8 t80 -63.27 -44.03 96.26 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 120.955 -1.09 . . . . 0.0 108.114 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.664 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 72.5 mtm -70.45 -40.95 73.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.564 -0.71 . . . . 0.0 109.698 179.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.3 tp -61.09 -40.89 95.42 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.046 -1.034 . . . . 0.0 108.862 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -62.26 -41.57 98.57 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.419 -0.801 . . . . 0.0 109.043 179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.52 ' CE2' HD22 ' A' ' 100' ' ' LEU . 72.4 t80 -62.67 -46.95 85.8 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.462 -0.774 . . . . 0.0 109.57 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 34.5 p -62.35 -42.57 99.5 Favored 'General case' 0 N--CA 1.486 1.355 0 O-C-N 121.154 -0.966 . . . . 0.0 109.598 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.6 ttm -63.23 -43.77 97.11 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.283 -0.886 . . . . 0.0 109.437 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.6 p -75.07 -35.87 61.82 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.245 -0.91 . . . . 0.0 109.742 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.52 HD22 ' CE2' ' A' ' 96' ' ' PHE . 33.7 tp -67.84 -44.99 75.91 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.227 -0.921 . . . . 0.0 109.881 -179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.664 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 71.2 t80 -68.42 -46.17 70.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.345 -0.847 . . . . 0.0 109.979 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -60.66 -46.29 90.89 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.261 -0.9 . . . . 0.0 109.807 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.26 -45.43 84.6 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.182 -0.949 . . . . 0.0 108.959 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.42 ' HE3' HD23 ' A' ' 121' ' ' LEU . 6.8 ttpm? -62.61 -37.76 87.54 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.395 -0.815 . . . . 0.0 108.838 179.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.0 tp -56.27 -47.29 78.88 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.506 -0.747 . . . . 0.0 109.029 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -60.7 -38.15 84.04 Favored 'General case' 0 C--N 1.307 -1.262 0 O-C-N 121.189 -0.944 . . . . 0.0 109.164 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.591 ' O ' ' N ' ' A' ' 111' ' ' GLY . 99.7 mm-40 -59.65 -38.9 82.7 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.379 -0.825 . . . . 0.0 109.273 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 63.2 mt -65.14 -37.67 88.16 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.93 -1.106 . . . . 0.0 109.062 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -77.25 -53.01 8.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.436 -0.79 . . . . 0.0 110.932 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -95.38 -22.66 17.58 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.193 -0.942 . . . . 0.0 110.71 -178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -93.4 155.65 22.32 Favored Glycine 0 N--CA 1.491 2.344 0 C-N-CA 119.651 -1.261 . . . . 0.0 109.964 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -66.1 153.68 77.12 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.715 2.276 . . . . 0.0 111.749 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.748 ' CZ2' HG21 ' A' ' 166' ' ' ILE . 13.6 m-90 -94.26 124.58 38.36 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.19 -0.944 . . . . 0.0 109.735 -179.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 113' ' ' TRP . 86.9 m-20 -134.6 165.67 24.68 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.281 -0.887 . . . . 0.0 109.38 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.8 m -64.02 -31.94 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 O-C-N 121.242 -0.911 . . . . 0.0 109.253 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 69.9 mtm -59.34 -38.97 81.71 Favored 'General case' 0 C--N 1.304 -1.379 0 O-C-N 121.367 -0.833 . . . . 0.0 109.379 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.55 -37.91 89.13 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.264 -0.898 . . . . 0.0 109.164 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.477 ' HA ' HD12 ' A' ' 121' ' ' LEU . 23.8 mttm -60.42 -41.83 94.78 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.235 -0.916 . . . . 0.0 108.913 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -62.19 -40.04 94.72 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.435 -0.79 . . . . 0.0 109.397 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.6 m -63.03 -38.88 92.96 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.369 -0.832 . . . . 0.0 109.591 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 118' ' ' LYS . 16.3 mt -62.85 -41.6 99.42 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.308 -0.87 . . . . 0.0 109.64 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.805 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 86.6 m95 -63.92 -41.08 97.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.167 -0.958 . . . . 0.0 109.624 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 71.9 m -65.71 -41.36 92.4 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.276 -0.89 . . . . 0.0 109.928 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 78.8 m -58.82 -48.09 82.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.101 -0.999 . . . . 0.0 109.635 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.49 -37.24 74.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 O-C-N 121.177 -0.952 . . . . 0.0 109.097 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.459 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 91.1 m-20 -58.78 -39.4 80.94 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.23 -0.919 . . . . 0.0 108.847 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 80.5 mt -62.45 -41.27 98.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.38 -0.825 . . . . 0.0 109.061 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.43 ' O ' ' CB ' ' A' ' 132' ' ' LEU . 28.5 m-85 -66.25 -42.75 88.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.319 -0.863 . . . . 0.0 110.03 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.2 p -66.81 -39.22 87.64 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.229 -0.92 . . . . 0.0 110.238 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.622 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 55.9 m -69.03 -50.08 51.88 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.056 -1.028 . . . . 0.0 109.992 -179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.452 HG23 ' CE3' ' A' ' 135' ' ' TRP . 73.4 mt -69.72 -46.5 74.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 O-C-N 121.356 -0.84 . . . . 0.0 109.923 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.43 ' CB ' ' O ' ' A' ' 128' ' ' PHE . 28.6 tp -61.07 -41.8 97.31 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.268 -0.895 . . . . 0.0 110.217 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -64.97 -49.75 69.09 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.174 -0.954 . . . . 0.0 111.203 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 36.7 tp -65.52 -46.03 81.22 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.026 -1.046 . . . . 0.0 110.904 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.452 ' CE3' HG23 ' A' ' 131' ' ' ILE . 4.8 m-90 -87.37 4.62 42.32 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.155 -0.965 . . . . 0.0 110.897 -178.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -43.15 60.8 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.028 -1.045 . . . . 0.0 109.574 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -68.95 -20.31 64.2 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.326 -0.859 . . . . 0.0 109.554 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.451 HD22 ' HA ' ' A' ' 135' ' ' TRP . 22.5 m-80 -89.0 -6.42 57.24 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.233 -0.917 . . . . 0.0 110.205 -179.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.9 mt -112.02 147.67 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.376 -0.827 . . . . 0.0 109.664 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 50.4 m -76.53 155.19 33.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.367 -0.833 . . . . 0.0 109.543 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -56.86 -37.1 70.85 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.402 -0.811 . . . . 0.0 109.979 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 36.3 m -74.17 -45.53 47.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.693 -1.254 . . . . 0.0 109.498 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 36.7 t -64.08 -44.98 90.72 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.165 -0.96 . . . . 0.0 109.788 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.566 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 1.2 t -63.6 -38.93 92.98 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.044 -1.035 . . . . 0.0 108.56 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . 0.424 ' N ' ' CG2' ' A' ' 144' ' ' THR . 1.6 t30 -55.55 -41.69 73.61 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.257 -0.902 . . . . 0.0 108.66 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.8 m -61.99 -42.28 98.96 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.411 -0.806 . . . . 0.0 108.896 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 53.4 mt -61.45 -38.86 88.73 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.62 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -61.21 -35.86 78.33 Favored 'General case' 0 C--N 1.306 -1.323 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.134 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.54 -43.65 98.47 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.384 -0.822 . . . . 0.0 109.2 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -60.13 -40.0 88.24 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.264 -0.897 . . . . 0.0 108.691 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 148' ' ' GLN . 92.2 mt -61.49 -39.57 83.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -58.7 -38.99 79.47 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.307 -0.871 . . . . 0.0 108.821 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -61.1 -42.4 98.44 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . 0.664 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 74.4 m -65.95 -50.62 63.71 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.32 -0.862 . . . . 0.0 109.074 179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -63.51 -39.67 95.04 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.281 -0.887 . . . . 0.0 109.167 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 26.9 mt -59.93 -47.94 89.69 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 121.294 -0.878 . . . . 0.0 109.676 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.528 ' CE2' HD11 ' A' ' 166' ' ' ILE . 2.0 t80 -63.52 -37.78 88.61 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.805 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 27.5 tp -58.79 -40.22 83.39 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 23.0 t -62.44 -36.34 82.11 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.364 -0.835 . . . . 0.0 108.992 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -60.93 -41.97 97.26 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.379 -0.826 . . . . 0.0 109.084 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 161' ' ' LEU . 4.4 mm? -65.84 -35.25 80.13 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.936 . . . . 0.0 109.339 179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.47 85.17 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.272 -0.892 . . . . 0.0 109.754 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -81.69 -12.06 58.8 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.242 -0.911 . . . . 0.0 109.45 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.35 -4.52 80.4 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -95.31 142.96 27.1 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.283 -1.128 . . . . 0.0 109.232 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.748 HG21 ' CZ2' ' A' ' 113' ' ' TRP . 10.3 tp -125.25 140.42 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.355 -0.84 . . . . 0.0 109.557 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 177' ' ' VAL . . . . . 0.46 ' H ' HG22 ' B' ' 177' ' ' VAL . 0.2 OUTLIER -67.9 153.64 94.91 Favored Pre-proline 0 N--CA 1.489 1.497 0 O-C-N 121.23 -0.919 . . . . 0.0 109.312 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -59.55 144.83 99.32 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.608 2.206 . . . . 0.0 112.16 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.96 -32.89 73.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.268 -0.895 . . . . 0.0 109.409 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 31.9 pt -118.51 159.85 18.67 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 O-C-N 121.579 -0.701 . . . . 0.0 109.558 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -57.98 -35.82 71.74 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.277 -0.889 . . . . 0.0 109.494 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -65.66 143.73 57.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.197 -0.939 . . . . 0.0 109.393 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -81.15 131.4 35.3 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.171 -0.956 . . . . 0.0 109.526 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -113.17 154.18 27.1 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.498 -0.751 . . . . 0.0 109.418 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 185' ' ' VAL . . . . . 0.762 HG13 ' H ' ' B' ' 188' ' ' ASP . 12.8 p -131.78 144.44 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.386 -0.821 . . . . 0.0 109.583 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -57.22 -35.2 69.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.422 -0.799 . . . . 0.0 110.328 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 187' ' ' VAL . . . . . 0.552 ' H ' HG22 ' B' ' 185' ' ' VAL . 71.1 t -59.62 -43.91 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.081 -1.012 . . . . 0.0 109.942 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . 0.762 ' H ' HG13 ' B' ' 185' ' ' VAL . 59.8 t0 -61.94 -35.0 77.14 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.82 -1.175 . . . . 0.0 109.578 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -59.01 -46.17 88.84 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.316 -0.865 . . . . 0.0 110.701 -179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -69.27 -43.65 73.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.19 -0.944 . . . . 0.0 110.568 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -58.2 -42.72 86.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.781 -1.2 . . . . 0.0 109.617 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.49 -37.87 88.08 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.2 -0.937 . . . . 0.0 109.252 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.69 -41.33 97.43 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.356 -0.84 . . . . 0.0 109.209 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 46.2 mttp -61.69 -42.47 98.98 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.232 -0.917 . . . . 0.0 109.426 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 195' ' ' LEU . . . . . . . . . . . . . 37.6 tp -62.82 -40.87 98.72 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.197 -0.939 . . . . 0.0 109.366 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.9 97.6 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.252 -0.905 . . . . 0.0 109.209 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.08 -35.18 80.33 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.24 -0.913 . . . . 0.0 109.162 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -60.21 -43.75 95.7 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.292 -0.88 . . . . 0.0 109.325 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . 0.566 HD22 HG21 ' A' ' 32' ' ' VAL . 3.5 tp -63.81 -43.04 97.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.237 -0.915 . . . . 0.0 109.345 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -58.52 -37.83 76.47 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.321 -0.862 . . . . 0.0 109.018 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.13 -35.81 81.48 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 202' ' ' LEU . . . . . 0.61 HD22 HG21 ' A' ' 56' ' ' ILE . 5.8 tp -59.59 -39.72 85.1 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.55 -0.719 . . . . 0.0 109.076 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -87.71 -10.04 52.33 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.341 -0.849 . . . . 0.0 109.262 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 179.827 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.406 ' H3 ' ' HB2' ' A' ' 4' ' ' ASN . 88.1 mtp . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.331 0.586 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.625 ' HB2' ' OE2' ' A' ' 38' ' ' GLU . . . -59.42 -40.84 87.99 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.157 -0.965 . . . . 0.0 109.218 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -63.54 -38.52 91.45 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.165 -0.959 . . . . 0.0 108.99 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.406 ' HB2' ' H3 ' ' A' ' 1' ' ' MET . 86.3 m-20 -57.34 -39.49 76.0 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.72 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.17 -39.88 94.93 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.32 94.87 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.37 -0.831 . . . . 0.0 109.208 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 11' ' ' THR . 0.0 OUTLIER -60.3 -42.0 94.61 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.602 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 41.1 t -60.53 -38.51 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.26 -0.9 . . . . 0.0 109.336 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.98 -37.97 78.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.25 -0.906 . . . . 0.0 108.775 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.36 -41.85 97.74 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 119.402 -0.919 . . . . 0.0 108.64 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 7' ' ' ARG . 4.9 p -72.15 -32.99 67.4 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.409 -0.807 . . . . 0.0 109.032 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.83 86.27 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.379 -0.826 . . . . 0.0 109.119 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -64.39 -46.05 85.0 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.352 -0.842 . . . . 0.0 109.079 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -61.84 -39.15 90.83 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.257 -0.902 . . . . 0.0 109.245 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.55 -43.47 97.18 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.31 -0.869 . . . . 0.0 109.156 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.49 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 55.5 t0 -60.03 -38.06 81.6 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.263 -0.898 . . . . 0.0 109.053 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -59.25 -30.33 68.2 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.369 -0.832 . . . . 0.0 109.166 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 18' ' ' VAL . 65.7 t -83.83 -8.84 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.36 -0.837 . . . . 0.0 109.424 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.39 17.02 56.28 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 68.7 mt -95.75 47.74 1.12 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.367 -1.078 . . . . 0.0 109.243 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.32 -34.23 53.8 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.789 -1.325 . . . . 0.0 109.789 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 22' ' ' ILE . 8.6 mm -60.27 -51.22 75.53 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 O-C-N 121.144 -1.209 . . . . 0.0 109.421 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.1 mm -64.55 -42.04 94.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 O-C-N 121.296 -0.877 . . . . 0.0 109.15 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.558 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -58.98 -39.56 94.35 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.749 ' CE2' HD11 ' A' ' 29' ' ' LEU . 67.3 t80 -63.22 -47.64 81.66 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.161 -1.199 . . . . 0.0 110.394 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.675 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 69.2 t80 -60.28 -46.48 89.69 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.235 -0.916 . . . . 0.0 111.298 -179.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.558 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.7 pp -64.43 -33.24 75.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.557 -1.34 . . . . 0.0 109.745 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.499 ' N ' HD12 ' A' ' 27' ' ' LEU . 92.6 mt-30 -60.0 -39.63 86.41 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.617 -1.302 . . . . 0.0 107.834 178.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.749 HD11 ' CE2' ' A' ' 25' ' ' TYR . 85.6 mt -61.34 -38.04 85.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 178.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -65.85 -37.45 86.23 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.408 -0.807 . . . . 0.0 109.495 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.52 93.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.336 -0.853 . . . . 0.0 110.383 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.414 HG21 HD22 ' B' ' 199' ' ' LEU . 2.1 p -65.24 -42.86 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.836 -1.165 . . . . 0.0 109.237 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.66 -35.35 77.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.907 -1.12 . . . . 0.0 109.009 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.72 HD23 ' HB2' ' A' ' 5' ' ' ALA . 28.9 tp -64.44 -42.45 95.99 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.353 -0.842 . . . . 0.0 109.954 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.408 HD11 ' CD1' ' A' ' 52' ' ' LEU . 92.9 mt -62.4 -48.03 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.119 -0.988 . . . . 0.0 110.115 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -62.67 -36.06 81.69 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.313 -0.867 . . . . 0.0 109.246 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.3 m -83.91 0.03 49.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.257 -0.902 . . . . 0.0 108.973 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.625 ' OE2' ' HB2' ' A' ' 2' ' ' ALA . 84.5 tt0 -89.82 150.01 22.43 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.481 -0.762 . . . . 0.0 109.909 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -57.07 151.15 15.7 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.409 -0.807 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -57.9 130.64 47.45 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 0.0 109.707 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.412 HH11 ' HB2' ' A' ' 45' ' ' MET . 57.5 ttt-85 -117.41 169.71 9.3 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 55.7 p -57.77 166.5 1.39 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.124 -0.985 . . . . 0.0 110.417 -178.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -56.76 -32.03 65.2 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.668 -0.645 . . . . 0.0 110.652 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -50.06 -37.11 31.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.832 -1.167 . . . . 0.0 108.346 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.563 ' O ' ' SD ' ' A' ' 45' ' ' MET . 4.8 tmm? -63.28 -38.15 90.03 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.428 -0.795 . . . . 0.0 108.919 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.7 m -59.69 -40.49 88.03 Favored 'General case' 0 C--N 1.305 -1.358 0 O-C-N 121.494 -0.753 . . . . 0.0 109.146 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.85 97.71 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.236 -0.915 . . . . 0.0 108.904 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 48' ' ' LEU . 89.1 mt -63.72 -37.45 87.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.312 -0.868 . . . . 0.0 109.239 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.78 97.36 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.238 -0.914 . . . . 0.0 108.791 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.2 m -60.7 -39.86 90.12 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.308 -0.87 . . . . 0.0 109.085 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.51 -40.94 96.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.352 -0.842 . . . . 0.0 109.455 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' CD1' HD11 ' A' ' 35' ' ' ILE . 81.5 mt -60.75 -42.27 97.07 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.148 -0.97 . . . . 0.0 109.518 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.577 HD12 ' HD3' ' B' ' 198' ' ' ARG . 3.9 mm? -60.76 -40.47 92.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.019 -1.05 . . . . 0.0 108.68 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -61.61 -37.84 85.42 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 59' ' ' PHE . 48.5 m -59.88 -41.29 91.25 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.672 -0.643 . . . . 0.0 109.667 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.58 HG21 HD22 ' B' ' 202' ' ' LEU . 81.6 mt -57.55 -53.98 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.045 -1.035 . . . . 0.0 108.797 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -62.39 -36.95 83.91 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.601 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.99 -32.3 72.61 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 179.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 55' ' ' THR . 78.7 t80 -59.43 -54.09 50.67 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.336 -0.853 . . . . 0.0 109.344 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -62.45 -44.0 97.47 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.957 . . . . 0.0 109.603 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -83.2 -2.23 55.02 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.32 -0.862 . . . . 0.0 110.345 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.601 ' N ' ' O ' ' A' ' 58' ' ' ALA . 86.8 tt0 -49.41 -34.94 17.68 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.167 -0.958 . . . . 0.0 110.046 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.72 HD11 ' SD ' ' A' ' 79' ' ' MET . 86.1 mt -68.65 -41.26 82.61 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.137 -0.977 . . . . 0.0 109.854 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.51 -5.33 81.65 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.177 -1.569 . . . . 0.0 109.177 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.99 -0.82 84.52 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.916 -1.274 . . . . 0.0 109.916 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -66.73 -46.83 74.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.066 -1.255 . . . . 0.0 108.788 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 t -67.7 -31.41 71.36 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.525 0.679 . . . . 0.0 109.338 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' ALA . 79.0 mm-40 -60.98 -30.04 70.04 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.55 -0.719 . . . . 0.0 109.792 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -40.96 -36.99 0.73 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.232 -0.918 . . . . 0.0 110.375 -179.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -113.07 134.06 54.71 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.213 -0.929 . . . . 0.0 109.777 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 49.78 48.37 21.75 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.283 -0.886 . . . . 0.0 109.242 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.5 p -59.74 -36.88 77.51 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.225 -0.922 . . . . 0.0 110.446 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.6 ' O ' ' CD2' ' A' ' 77' ' ' HIS . 90.2 m-20 -62.6 -45.44 92.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.069 -1.019 . . . . 0.0 110.453 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -64.34 -41.49 96.75 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.118 -0.989 . . . . 0.0 110.641 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.5 m -62.52 -45.01 94.94 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.015 -1.053 . . . . 0.0 110.101 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.419 ' O ' ' CB ' ' A' ' 80' ' ' ASN . 89.2 mt -67.22 -37.57 83.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.185 -0.947 . . . . 0.0 109.916 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 56.8 m-70 -60.1 -45.4 93.07 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.173 -0.954 . . . . 0.0 110.372 -179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.4 t -69.04 -50.37 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.945 -1.097 . . . . 0.0 110.196 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.72 ' SD ' HD11 ' A' ' 63' ' ' ILE . 70.1 mtm -68.51 -46.51 69.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.121 -0.987 . . . . 0.0 110.473 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.584 ' OD1' ' CE1' ' A' ' 84' ' ' HIS . 36.1 t30 -66.53 -43.48 85.08 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.077 -1.014 . . . . 0.0 110.899 -178.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.63 HG22 ' HD2' ' A' ' 88' ' ' LYS . 39.1 m -68.57 -49.05 62.41 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.126 -0.984 . . . . 0.0 111.797 -178.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.8 mt -72.12 -34.14 68.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.795 -1.191 . . . . 0.0 111.279 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 86.8 mt -79.13 -34.57 16.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.02 -1.05 . . . . 0.0 111.188 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.584 ' CE1' ' OD1' ' A' ' 80' ' ' ASN . 78.6 m80 -92.34 -26.65 17.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.017 -1.052 . . . . 0.0 111.269 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.568 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 54.2 t0 -87.84 105.94 17.75 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.676 -1.265 . . . . 0.0 109.994 -179.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.785 ' NE2' HD21 ' A' ' 134' ' ' LEU . 50.4 tt0 -62.33 -37.31 85.15 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.385 -0.822 . . . . 0.0 110.446 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.97 -45.35 92.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 0.0 109.829 -178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.63 ' HD2' HG22 ' A' ' 81' ' ' THR . 33.2 mttp -64.89 -34.53 78.6 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.261 -0.899 . . . . 0.0 109.043 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.29 -42.06 72.55 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.132 -0.98 . . . . 0.0 109.312 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.99 -48.4 81.97 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.126 -0.984 . . . . 0.0 109.768 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.774 HD12 ' N ' ' A' ' 92' ' ' TYR . 2.7 pp -72.77 -43.05 61.46 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.567 0 O-C-N 121.326 -0.859 . . . . 0.0 109.324 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.774 ' N ' HD12 ' A' ' 91' ' ' ILE . 58.7 t80 -63.41 -48.69 76.78 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.197 -0.939 . . . . 0.0 109.059 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.675 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 65.0 mtm -65.72 -37.64 86.98 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 0.0 109.686 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.0 tp -61.21 -41.27 96.55 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.08 -1.012 . . . . 0.0 108.952 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -61.9 -42.54 99.19 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.31 -0.869 . . . . 0.0 109.387 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -64.45 -49.0 73.19 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.321 -0.862 . . . . 0.0 109.763 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.786 HG22 HD23 ' A' ' 127' ' ' LEU . 35.4 p -62.69 -43.52 98.59 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.132 -0.98 . . . . 0.0 109.924 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 94.0 mmm -65.27 -42.07 93.56 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.137 -0.977 . . . . 0.0 109.407 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.8 p -72.58 -36.38 68.16 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.262 -0.899 . . . . 0.0 109.514 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.517 HD21 ' HE3' ' A' ' 104' ' ' LYS . 30.6 tp -66.51 -42.09 87.88 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.285 -0.884 . . . . 0.0 109.667 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.665 ' CZ ' ' SG ' ' A' ' 154' ' ' CYS . 75.8 t80 -64.66 -43.93 92.03 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.396 -0.815 . . . . 0.0 109.975 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -58.95 -46.18 88.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.234 -0.916 . . . . 0.0 109.951 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.17 -45.98 82.68 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.162 -0.961 . . . . 0.0 109.488 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.517 ' HE3' HD21 ' A' ' 100' ' ' LEU . 25.3 mttm -65.02 -36.14 83.44 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.316 -0.865 . . . . 0.0 109.174 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.4 tp -55.42 -48.59 74.18 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.307 -0.871 . . . . 0.0 108.886 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -60.85 -38.04 84.17 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.256 -0.902 . . . . 0.0 108.958 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.59 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.0 mt-30 -60.68 -39.37 88.2 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.375 -0.828 . . . . 0.0 109.503 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.457 HD22 ' CZ2' ' A' ' 113' ' ' TRP . 52.0 mt -64.81 -37.81 88.86 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.921 -1.112 . . . . 0.0 109.267 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -77.96 -53.73 7.11 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.308 -0.87 . . . . 0.0 110.808 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -99.0 -22.97 15.47 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.27 -0.894 . . . . 0.0 110.894 -178.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -90.26 148.99 19.98 Favored Glycine 0 N--CA 1.492 2.415 0 C-N-CA 119.52 -1.324 . . . . 0.0 110.166 -178.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -72.34 154.35 56.13 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.653 2.235 . . . . 0.0 112.147 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.528 ' CZ3' HD11 ' A' ' 161' ' ' LEU . 57.5 m95 -86.61 123.73 32.12 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.205 -0.935 . . . . 0.0 109.377 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -131.49 163.04 28.85 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.345 -0.847 . . . . 0.0 109.012 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.449 ' H ' HG13 ' A' ' 115' ' ' VAL . 2.4 m -62.15 -32.75 55.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.388 0 O-C-N 121.183 -0.948 . . . . 0.0 109.112 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.408 ' N ' ' CG2' ' A' ' 115' ' ' VAL . 69.6 mtm -60.52 -43.4 97.15 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.442 -0.786 . . . . 0.0 109.712 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 72.4 mt -67.69 -37.54 82.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.355 -0.841 . . . . 0.0 109.581 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.411 ' O ' ' CE3' ' A' ' 122' ' ' TRP . 58.2 mttp -60.11 -42.77 95.43 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.262 -0.899 . . . . 0.0 110.037 -179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -67.4 -45.73 75.32 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.882 -1.136 . . . . 0.0 110.155 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.417 ' N ' HH22 ' A' ' 7' ' ' ARG . 84.1 p -71.99 -42.1 66.86 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.185 -0.947 . . . . 0.0 110.243 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 47.8 tp -66.16 -39.06 89.49 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.118 -0.989 . . . . 0.0 109.439 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.857 ' CZ2' HD11 ' A' ' 158' ' ' LEU . 0.9 OUTLIER -59.73 -44.89 93.57 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.022 -1.049 . . . . 0.0 108.325 179.334 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 78.7 m -65.28 -33.66 76.51 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.407 -0.808 . . . . 0.0 109.282 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 120' ' ' SER . 74.4 m -57.92 -50.17 74.25 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.289 -0.882 . . . . 0.0 109.69 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 72.7 mt -62.02 -44.13 98.55 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 O-C-N 121.117 -0.989 . . . . 0.0 109.354 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.497 ' O ' ' SG ' ' A' ' 130' ' ' CYS . 89.3 m-20 -63.97 -39.56 94.4 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.305 -0.872 . . . . 0.0 109.896 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.786 HD23 HG22 ' A' ' 97' ' ' THR . 39.5 tp -62.61 -45.56 92.29 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.146 -0.971 . . . . 0.0 109.834 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.579 ' HE1' HD11 ' A' ' 132' ' ' LEU . 25.6 t80 -66.6 -42.83 86.28 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.306 -0.871 . . . . 0.0 109.47 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 86.1 p -63.75 -34.12 77.18 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.886 . . . . 0.0 109.559 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 126' ' ' ASP . 73.1 m -65.11 -43.94 90.39 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.232 -0.918 . . . . 0.0 109.027 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 95.7 mt -58.52 -44.15 88.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 O-C-N 121.373 -0.829 . . . . 0.0 109.664 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.591 ' O ' ' N ' ' A' ' 136' ' ' LYS . 53.2 mt -62.79 -39.07 93.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.261 -0.899 . . . . 0.0 109.729 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -57.82 -49.34 76.96 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.314 -0.866 . . . . 0.0 110.411 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.785 HD21 ' NE2' ' A' ' 86' ' ' GLN . 41.1 tp -64.3 -45.74 86.63 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 120.99 -1.069 . . . . 0.0 110.025 -179.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -87.98 -0.65 57.28 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.223 -0.923 . . . . 0.0 110.958 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.591 ' N ' ' O ' ' A' ' 132' ' ' LEU . 2.4 tmtt? -49.24 -39.0 28.63 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.857 -1.152 . . . . 0.0 109.875 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -66.06 -26.26 67.41 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.158 -0.963 . . . . 0.0 109.785 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -89.01 -5.97 57.54 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.2 -0.937 . . . . 0.0 110.569 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.0 mm -104.67 143.29 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.063 -1.023 . . . . 0.0 109.295 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 30.7 t -78.14 154.3 31.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.292 -0.88 . . . . 0.0 109.192 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.53 -39.38 64.63 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.276 -0.89 . . . . 0.0 109.802 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 40.0 m -72.26 -45.34 60.57 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.856 -1.153 . . . . 0.0 109.466 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 44.3 t -64.06 -44.75 91.46 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.206 -0.934 . . . . 0.0 109.701 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.408 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.6 OUTLIER -63.67 -38.8 92.49 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.047 -1.033 . . . . 0.0 108.498 179.46 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.24 -43.33 78.57 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.338 -0.851 . . . . 0.0 109.133 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.0 m -61.21 -44.64 96.95 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.256 -0.902 . . . . 0.0 109.292 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 46.1 mt -61.63 -38.83 89.13 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.618 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -61.9 -35.62 78.89 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.154 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -61.35 -42.1 98.13 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.263 -0.898 . . . . 0.0 108.874 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -58.4 -42.65 87.61 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 33.0 mm -64.23 -37.95 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.51 ' O ' ' N ' ' A' ' 156' ' ' ILE . 30.0 tttt -57.49 -39.21 75.93 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -61.51 -46.96 87.78 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . 0.665 ' SG ' ' CZ ' ' A' ' 101' ' ' TYR . 38.1 m -67.14 -49.91 63.13 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -61.8 -32.06 72.32 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 152' ' ' LYS . 1.8 mt -58.25 -37.93 65.7 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.337 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -39.47 93.34 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 178.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.857 HD11 ' CZ2' ' A' ' 122' ' ' TRP . 1.8 mm? -59.04 -39.03 80.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.369 -0.832 . . . . 0.0 108.887 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.0 t -61.45 -43.46 98.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.401 -0.812 . . . . 0.0 109.886 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . 0.742 ' HZ1' ' H ' ' A' ' 167' ' ' GLY . 8.1 mtmp? -61.69 -39.12 90.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.064 -1.022 . . . . 0.0 109.494 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.528 HD11 ' CZ3' ' A' ' 113' ' ' TRP . 56.6 mt -61.64 -37.35 83.69 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.033 -1.042 . . . . 0.0 108.791 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -64.08 -35.5 80.95 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.399 -0.813 . . . . 0.0 109.051 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -81.42 -12.81 58.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.277 -0.889 . . . . 0.0 109.167 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.33 0.4 70.46 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.906 -1.278 . . . . 0.0 109.906 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.73 142.23 27.7 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.079 -1.248 . . . . 0.0 109.704 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.404 ' CD1' ' CD2' ' A' ' 161' ' ' LEU . 36.3 mm -116.42 137.09 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.427 -0.796 . . . . 0.0 109.495 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . 0.742 ' H ' ' HZ1' ' A' ' 160' ' ' LYS . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.489 -1.445 . . . . 0.0 109.489 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 177' ' ' VAL . . . . . 0.416 HG22 ' H ' ' B' ' 177' ' ' VAL . 0.2 OUTLIER -67.9 153.9 94.49 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 0.0 109.377 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -58.27 143.49 97.15 Favored 'Trans proline' 0 C--N 1.308 -1.584 0 C-N-CA 122.625 2.216 . . . . 0.0 112.099 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -58.72 -34.57 71.49 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.252 -0.905 . . . . 0.0 109.53 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 180' ' ' ILE . . . . . 0.478 HG12 ' H ' ' B' ' 182' ' ' ALA . 14.6 tt -123.03 136.33 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.493 -0.754 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 181' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' B' ' 183' ' ' LYS . 61.7 mttm -58.28 -35.87 72.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.169 -0.957 . . . . 0.0 109.512 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 182' ' ' ALA . . . . . 0.478 ' H ' HG12 ' B' ' 180' ' ' ILE . . . 62.12 -79.45 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.344 -0.847 . . . . 0.0 109.533 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' B' ' 181' ' ' LYS . 75.6 tttt -67.01 136.06 54.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.196 -0.94 . . . . 0.0 109.589 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -107.52 161.33 14.94 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.422 -0.799 . . . . 0.0 109.353 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 185' ' ' VAL . . . . . 0.545 HG12 ' H ' ' B' ' 187' ' ' VAL . 39.3 t -104.13 136.75 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.257 -0.902 . . . . 0.0 109.589 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -55.25 -34.24 63.85 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.376 -0.827 . . . . 0.0 109.937 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 187' ' ' VAL . . . . . 0.545 ' H ' HG12 ' B' ' 185' ' ' VAL . 78.8 t -58.61 -43.46 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.147 -0.971 . . . . 0.0 109.724 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -60.97 -35.5 76.95 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.935 -1.103 . . . . 0.0 109.682 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -60.04 -45.89 91.35 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.323 -0.86 . . . . 0.0 110.849 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . 0.417 ' H ' ' HG2' ' B' ' 190' ' ' GLU . 12.3 pt-20 -68.96 -43.04 75.79 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.165 -0.96 . . . . 0.0 110.634 -178.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -57.82 -43.89 86.06 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.731 -1.23 . . . . 0.0 109.501 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.85 -37.96 89.34 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.135 -0.978 . . . . 0.0 109.017 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -62.29 -39.05 91.69 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.326 -0.859 . . . . 0.0 109.138 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -60.8 -47.14 87.71 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.32 -0.862 . . . . 0.0 109.503 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 195' ' ' LEU . . . . . 0.445 ' N ' HD12 ' B' ' 195' ' ' LEU . 6.5 mp -67.14 -40.52 86.75 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.116 -0.99 . . . . 0.0 109.321 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -66.6 -44.62 81.63 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.27 -0.894 . . . . 0.0 109.48 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -65.3 -35.58 81.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.287 -0.883 . . . . 0.0 109.44 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . 0.577 ' HD3' HD12 ' A' ' 53' ' ' LEU . 77.6 ttt180 -61.51 -42.79 99.33 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.259 -0.901 . . . . 0.0 109.382 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 32' ' ' VAL . 8.3 tp -63.97 -42.76 97.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.277 -0.89 . . . . 0.0 109.467 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 200' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -60.51 -39.64 88.51 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.241 -0.912 . . . . 0.0 109.315 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.33 -36.26 82.46 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.123 -0.985 . . . . 0.0 108.639 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 202' ' ' LEU . . . . . 0.58 HD22 HG21 ' A' ' 56' ' ' ILE . 14.9 tp -60.7 -38.21 84.28 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.549 -0.719 . . . . 0.0 109.191 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -87.61 -10.96 49.96 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.271 -0.893 . . . . 0.0 109.414 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.353 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.301 0.572 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.16 -40.01 84.28 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.144 -0.972 . . . . 0.0 109.116 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -64.48 -34.67 78.75 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.146 -0.971 . . . . 0.0 108.862 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -58.89 -42.38 89.37 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.521 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -63.48 -39.77 95.32 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.09 -42.1 93.9 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.331 -0.855 . . . . 0.0 109.182 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.436 ' CG ' HH11 ' A' ' 7' ' ' ARG . 0.0 OUTLIER -60.02 -41.5 92.3 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.171 -0.956 . . . . 0.0 108.516 179.386 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 40.0 t -60.95 -37.4 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 O-C-N 121.372 -0.83 . . . . 0.0 109.08 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.57 -38.01 76.97 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.79 -42.51 97.72 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 11' ' ' THR . 7.7 p -69.21 -35.24 76.0 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' HB2' HD11 ' A' ' 27' ' ' LEU . . . -55.9 -46.06 78.49 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -63.61 -39.19 93.74 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 121.323 -0.861 . . . . 0.0 108.826 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -60.04 -43.0 95.62 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.37 -0.831 . . . . 0.0 109.744 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -61.87 -41.13 97.48 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.085 -1.009 . . . . 0.0 109.441 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' OD2' ' OE2' ' A' ' 62' ' ' GLU . 21.1 t70 -58.78 -39.15 80.21 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.157 -0.965 . . . . 0.0 108.919 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -60.88 -33.15 72.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.392 -0.818 . . . . 0.0 109.388 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -84.41 -8.49 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.319 -0.863 . . . . 0.0 109.519 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.408 ' C ' HD22 ' A' ' 20' ' ' LEU . . . 89.48 9.52 66.7 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' A' ' 20' ' ' LEU . 2.7 mm? -95.64 50.79 1.24 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.326 -1.103 . . . . 0.0 108.655 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.29 -32.76 64.15 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.404 -1.078 . . . . 0.0 110.404 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.561 ' CD1' ' N ' ' A' ' 22' ' ' ILE . 1.2 mp -57.88 -48.48 83.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 120.992 -1.299 . . . . 0.0 109.555 -179.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.1 mm -61.9 -42.5 94.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.221 -0.924 . . . . 0.0 108.642 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.563 ' HA2' HD21 ' A' ' 27' ' ' LEU . . . -60.76 -38.46 95.25 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.804 ' CE2' HD11 ' A' ' 29' ' ' LEU . 72.4 t80 -63.27 -47.45 82.3 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.082 -1.246 . . . . 0.0 110.764 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.667 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 78.0 t80 -61.26 -45.72 93.34 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 121.203 -0.936 . . . . 0.0 111.311 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.563 HD21 ' HA2' ' A' ' 24' ' ' GLY . 1.8 pp -65.04 -33.67 76.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.601 -1.312 . . . . 0.0 109.73 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.493 ' N ' HD12 ' A' ' 27' ' ' LEU . 93.1 mt-30 -60.22 -40.1 88.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.598 -1.314 . . . . 0.0 107.78 178.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.804 HD11 ' CE2' ' A' ' 25' ' ' TYR . 92.7 mt -61.25 -37.14 82.03 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.589 ' CZ ' ' OD2' ' A' ' 126' ' ' ASP . 85.8 t80 -66.6 -35.85 81.18 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.462 -0.773 . . . . 0.0 109.168 179.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.9 -45.78 93.26 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.319 -0.863 . . . . 0.0 110.113 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.472 HG21 HD22 ' B' ' 199' ' ' LEU . 2.0 p -65.44 -42.0 92.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.907 -1.121 . . . . 0.0 108.823 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.68 -35.38 77.81 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.929 -1.107 . . . . 0.0 108.78 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.521 HD23 ' HB2' ' A' ' 5' ' ' ALA . 21.7 tp -63.05 -42.77 99.81 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.456 -0.778 . . . . 0.0 109.694 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.5 mt -62.73 -48.2 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 O-C-N 121.211 -0.931 . . . . 0.0 109.905 -179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.504 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 5.7 mp -65.38 -34.93 79.48 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.357 -0.839 . . . . 0.0 109.367 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.0 m -82.42 -0.15 44.79 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.203 -0.936 . . . . 0.0 109.114 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -90.83 150.08 21.7 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.374 -0.829 . . . . 0.0 109.622 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.91 150.18 17.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.152 -0.967 . . . . 0.0 109.271 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -58.54 133.31 55.72 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.275 -0.89 . . . . 0.0 109.987 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -122.87 170.13 10.42 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.714 -0.616 . . . . 0.0 109.467 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p -58.32 171.26 0.59 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.28 -0.888 . . . . 0.0 109.556 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -56.29 -27.84 56.78 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.389 -0.819 . . . . 0.0 110.512 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -50.56 -40.52 52.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.793 -1.192 . . . . 0.0 109.372 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 56.0 ttp -63.97 -36.88 85.42 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.019 -1.051 . . . . 0.0 109.222 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.7 p -63.21 -36.43 83.61 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 121.204 -0.935 . . . . 0.0 109.104 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.2 96.36 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.278 -0.889 . . . . 0.0 108.665 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.01 -36.35 83.28 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.364 -0.835 . . . . 0.0 109.065 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.87 -40.88 98.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.267 -0.895 . . . . 0.0 109.053 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.2 m -61.21 -42.9 99.4 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.225 -0.922 . . . . 0.0 109.125 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.63 -41.2 98.89 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.276 -0.89 . . . . 0.0 109.059 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.8 tp -60.45 -40.55 91.56 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.286 -0.884 . . . . 0.0 109.106 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.77 HD22 HD11 ' B' ' 195' ' ' LEU . 40.1 tp -60.01 -40.62 89.91 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.234 -0.916 . . . . 0.0 108.912 179.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -59.88 -40.25 88.05 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.9 m -60.49 -40.77 92.52 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.675 -0.64 . . . . 0.0 109.599 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.617 HD12 HD12 ' A' ' 53' ' ' LEU . 83.6 mt -57.19 -53.11 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.182 -0.949 . . . . 0.0 109.05 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.587 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 97.0 mt-10 -63.47 -36.59 84.26 Favored 'General case' 0 C--N 1.303 -1.45 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.585 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -66.48 -33.59 76.04 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' THR . 75.9 t80 -59.65 -54.49 45.76 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.262 -0.899 . . . . 0.0 109.452 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -61.08 -43.88 98.22 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.129 -0.982 . . . . 0.0 109.564 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -83.0 -3.21 56.99 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.261 -0.9 . . . . 0.0 110.386 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.6 tt0 -50.4 -34.26 23.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.084 -1.01 . . . . 0.0 109.96 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.403 ' C ' ' H ' ' A' ' 65' ' ' GLY . 85.9 mt -68.32 -37.02 77.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.187 -0.945 . . . . 0.0 109.604 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.68 -5.39 11.71 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.403 ' H ' ' C ' ' A' ' 63' ' ' ILE . . . 91.23 -4.59 80.85 Favored Glycine 0 N--CA 1.49 2.24 0 N-CA-C 109.755 -1.338 . . . . 0.0 109.755 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -64.09 -46.6 83.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.057 -1.261 . . . . 0.0 109.658 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.6 m -64.97 -35.04 79.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.278 -0.889 . . . . 0.0 109.014 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.673 ' OE2' HD21 ' A' ' 76' ' ' LEU . 96.9 mt-10 -63.27 -28.83 70.29 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.553 -0.717 . . . . 0.0 109.723 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -39.55 -37.48 0.49 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.338 -0.851 . . . . 0.0 110.031 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -112.39 133.86 54.25 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.361 -0.837 . . . . 0.0 109.248 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 51.08 47.88 24.07 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.176 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.9 p -58.65 -36.79 74.68 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.176 -0.953 . . . . 0.0 110.112 -179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -61.04 -44.62 97.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.109 -0.995 . . . . 0.0 109.922 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -67.98 -45.24 74.7 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.35 -0.844 . . . . 0.0 110.534 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.1 m -61.12 -43.99 98.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.07 -1.019 . . . . 0.0 110.147 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.673 HD21 ' OE2' ' A' ' 68' ' ' GLU . 96.7 mt -68.02 -39.35 83.14 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.266 -0.896 . . . . 0.0 110.111 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.5 ' O ' ' OD1' ' A' ' 80' ' ' ASN . 75.9 t60 -62.76 -45.63 91.81 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.285 -0.884 . . . . 0.0 110.241 -179.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 74.0 t -69.51 -48.74 64.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.086 -1.009 . . . . 0.0 110.573 -179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 96.8 mmm -66.91 -45.66 77.24 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.225 -0.922 . . . . 0.0 111.031 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.63 ' OD1' ' N ' ' A' ' 81' ' ' THR . 29.7 p-10 -70.54 -41.69 72.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.799 -1.188 . . . . 0.0 111.139 -178.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.63 ' N ' ' OD1' ' A' ' 80' ' ' ASN . 63.2 m -63.21 -47.33 83.01 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.92 -1.113 . . . . 0.0 111.385 -178.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.9 mt -73.6 -34.04 64.88 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 120.976 -1.077 . . . . 0.0 111.043 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 92.5 mt -79.66 -42.43 22.68 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 120.977 -1.077 . . . . 0.0 110.992 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.485 ' ND1' ' O ' ' A' ' 80' ' ' ASN . 76.1 m80 -72.87 -47.88 42.24 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.022 -1.049 . . . . 0.0 111.087 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.439 ' OD2' ' NZ ' ' A' ' 88' ' ' LYS . 64.5 t0 -83.93 110.38 18.36 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.904 -1.123 . . . . 0.0 110.222 -178.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -61.94 -36.73 82.27 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.495 -0.753 . . . . 0.0 110.299 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.93 -41.77 88.12 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.162 -0.961 . . . . 0.0 109.887 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.608 ' O ' HD13 ' A' ' 91' ' ' ILE . 30.2 mmtm -61.52 -36.62 81.06 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.85 69.95 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.318 -0.864 . . . . 0.0 109.588 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -58.16 -48.89 78.89 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.233 -0.917 . . . . 0.0 110.887 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.912 HD13 ' H ' ' A' ' 92' ' ' TYR . 0.1 OUTLIER -78.29 -37.5 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.723 -1.235 . . . . 0.0 108.916 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.912 ' H ' HD13 ' A' ' 91' ' ' ILE . 64.6 t80 -60.8 -46.94 88.54 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.667 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 71.7 mtm -66.75 -38.51 86.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.3 -0.875 . . . . 0.0 109.23 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 tp -61.96 -41.01 97.51 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.183 -0.948 . . . . 0.0 109.218 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -64.24 -44.61 91.3 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.502 -0.749 . . . . 0.0 109.986 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.516 ' HE2' HD22 ' A' ' 100' ' ' LEU . 56.0 t80 -64.51 -44.25 91.52 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.283 -0.885 . . . . 0.0 109.946 -179.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.76 HG22 HD23 ' A' ' 127' ' ' LEU . 32.9 p -61.99 -41.42 98.01 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.105 -0.997 . . . . 0.0 109.561 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 51.3 ttm -64.6 -46.08 84.19 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.231 -0.918 . . . . 0.0 109.258 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.1 p -72.6 -37.27 68.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.326 -0.859 . . . . 0.0 109.717 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.516 HD22 ' HE2' ' A' ' 96' ' ' PHE . 20.8 tp -66.57 -40.84 89.18 Favored 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.316 -0.865 . . . . 0.0 109.395 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.715 ' CE2' HD11 ' A' ' 105' ' ' LEU . 86.8 t80 -63.71 -44.81 92.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.465 -0.772 . . . . 0.0 109.871 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -58.91 -41.58 87.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 109.562 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -61.34 -40.53 94.6 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.3 -0.875 . . . . 0.0 109.486 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.552 ' NZ ' ' OG ' ' A' ' 120' ' ' SER . 83.9 mttt -62.48 -40.91 98.19 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.242 -0.911 . . . . 0.0 109.752 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.715 HD11 ' CE2' ' A' ' 101' ' ' TYR . 83.1 mt -58.29 -44.2 88.38 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.077 -1.014 . . . . 0.0 109.176 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -60.68 -39.01 86.83 Favored 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.208 -0.932 . . . . 0.0 109.31 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' A' ' 111' ' ' GLY . 94.7 mt-30 -63.08 -39.18 93.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.364 -0.835 . . . . 0.0 109.764 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.647 HD13 ' CE2' ' A' ' 157' ' ' TYR . 80.2 mt -64.13 -37.5 87.68 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.008 -1.057 . . . . 0.0 109.692 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -77.48 -53.69 7.33 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.2 -0.937 . . . . 0.0 110.817 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -98.74 -22.87 15.66 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.215 -0.928 . . . . 0.0 110.882 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -87.91 154.61 25.79 Favored Glycine 0 N--CA 1.493 2.495 0 C-N-CA 119.485 -1.341 . . . . 0.0 110.224 -178.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -69.09 154.31 70.61 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.853 2.369 . . . . 0.0 111.903 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.443 ' CZ2' ' O ' ' A' ' 108' ' ' LEU . 19.5 m-90 -96.55 120.75 37.44 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.219 -0.925 . . . . 0.0 109.746 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 115' ' ' VAL . 39.5 t0 -135.78 165.57 25.3 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.144 -0.972 . . . . 0.0 109.315 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.488 ' N ' ' OD1' ' A' ' 114' ' ' ASP . 4.2 m -62.92 -32.07 54.7 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.317 -0.865 . . . . 0.0 109.689 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.403 ' N ' HG23 ' A' ' 115' ' ' VAL . 68.6 mtm -59.15 -39.63 83.05 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.33 -0.856 . . . . 0.0 109.436 -179.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.54 -37.96 89.32 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.19 -0.944 . . . . 0.0 109.084 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.638 ' HE2' HD23 ' A' ' 161' ' ' LEU . 73.3 mttt -58.85 -42.99 90.67 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.293 -0.879 . . . . 0.0 108.869 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -61.53 -39.32 90.62 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.426 -0.796 . . . . 0.0 109.097 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.552 ' OG ' ' NZ ' ' A' ' 104' ' ' LYS . 21.5 t -62.11 -39.81 93.77 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.318 -0.864 . . . . 0.0 109.598 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.85 -41.61 98.03 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.252 -0.905 . . . . 0.0 109.502 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.48 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 77.3 m95 -61.13 -42.42 98.5 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.063 -1.023 . . . . 0.0 109.503 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . 0.542 ' SG ' ' N ' ' A' ' 124' ' ' CYS . 0.1 OUTLIER -69.41 -41.79 75.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.175 -0.953 . . . . 0.0 109.669 179.757 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.542 ' N ' ' SG ' ' A' ' 123' ' ' CYS . 0.0 OUTLIER -62.61 -50.07 72.71 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.263 -0.898 . . . . 0.0 110.067 -179.625 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.659 HG23 HG23 ' A' ' 151' ' ' ILE . 92.8 mt -60.24 -43.53 93.57 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 O-C-N 121.16 -0.962 . . . . 0.0 109.627 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . 0.589 ' OD2' ' CZ ' ' A' ' 30' ' ' TYR . 55.0 t0 -62.47 -41.65 98.92 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.282 -0.886 . . . . 0.0 109.98 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.76 HD23 HG22 ' A' ' 97' ' ' THR . 43.1 tp -63.39 -42.71 98.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.273 -0.892 . . . . 0.0 109.973 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.7 ' CE2' HD11 ' A' ' 132' ' ' LEU . 34.4 t80 -67.13 -43.95 81.09 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.311 -0.868 . . . . 0.0 109.347 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.7 t -68.46 -36.76 79.45 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.351 -0.843 . . . . 0.0 109.87 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.561 ' SG ' ' O ' ' A' ' 126' ' ' ASP . 93.4 m -60.19 -49.14 78.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -0.874 . . . . 0.0 109.894 -179.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 80.9 mt -61.53 -50.17 81.41 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 O-C-N 121.071 -1.018 . . . . 0.0 109.741 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.7 HD11 ' CE2' ' A' ' 128' ' ' PHE . 67.3 mt -66.56 -36.64 83.15 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.903 . . . . 0.0 110.116 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -59.61 -49.77 76.45 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.068 -1.02 . . . . 0.0 109.838 -179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 36.2 tp -67.01 -42.86 84.26 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.091 -1.006 . . . . 0.0 109.435 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.411 ' HA ' HD22 ' A' ' 138' ' ' ASN . 88.3 m95 -86.89 4.08 42.86 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.498 -0.752 . . . . 0.0 109.914 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -53.08 -37.9 62.06 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.298 -0.876 . . . . 0.0 109.855 -179.584 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -62.94 -24.05 67.68 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.137 -0.977 . . . . 0.0 109.471 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.411 HD22 ' HA ' ' A' ' 135' ' ' TRP . 51.1 m-80 -89.41 -6.61 56.42 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.318 -0.864 . . . . 0.0 109.999 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.9 mt -111.71 148.0 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.369 -0.832 . . . . 0.0 109.553 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 31.5 t -76.74 154.37 34.14 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.266 -0.896 . . . . 0.0 109.451 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -57.61 -39.36 76.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.316 -0.865 . . . . 0.0 110.037 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 53.2 m -70.32 -45.15 66.8 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.673 -1.267 . . . . 0.0 109.409 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 31.8 m -63.62 -44.94 92.44 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.198 -0.939 . . . . 0.0 109.413 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.582 ' O ' ' NE2' ' A' ' 148' ' ' GLN . 0.6 OUTLIER -65.44 -39.06 91.6 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.201 -0.937 . . . . 0.0 108.607 179.429 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . 0.598 ' C ' HD22 ' A' ' 145' ' ' ASN . 0.1 OUTLIER -55.12 -41.58 71.89 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.318 -0.864 . . . . 0.0 108.881 179.425 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.3 m -63.67 -43.24 97.28 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.369 -0.832 . . . . 0.0 109.304 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.22 -44.0 97.55 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.261 -0.899 . . . . 0.0 108.883 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.594 ' OE1' ' N ' ' A' ' 148' ' ' GLN . 0.2 OUTLIER -62.49 -34.17 76.32 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 178.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.02 -41.6 92.56 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.412 -0.805 . . . . 0.0 108.958 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -62.2 -41.05 97.99 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.659 HG23 HG23 ' A' ' 125' ' ' ILE . 83.9 mt -61.41 -38.27 79.63 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -58.22 -40.85 82.74 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.527 ' HA ' HD12 ' A' ' 156' ' ' ILE . 75.4 t80 -58.51 -43.52 89.17 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 179.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . 0.66 ' SG ' ' CZ ' ' A' ' 101' ' ' TYR . 23.6 m -63.66 -50.38 69.49 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -61.65 -34.47 75.77 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.498 -0.751 . . . . 0.0 109.193 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 153' ' ' TYR . 13.3 mt -57.74 -47.93 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 121.308 -0.87 . . . . 0.0 109.804 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.647 ' CE2' HD13 ' A' ' 108' ' ' LEU . 82.5 t80 -62.99 -40.69 98.51 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.191 -1.041 . . . . 0.0 108.191 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.48 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 32.7 tp -59.6 -41.3 90.03 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.553 -0.717 . . . . 0.0 109.218 179.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 22.2 m -62.57 -38.05 88.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.32 -0.862 . . . . 0.0 109.365 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -61.22 -40.34 93.64 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.19 -0.944 . . . . 0.0 109.074 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.638 HD23 ' HE2' ' A' ' 118' ' ' LYS . 10.7 mp -65.42 -35.51 81.16 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.285 -0.885 . . . . 0.0 109.115 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -61.85 -36.96 82.75 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.295 -0.878 . . . . 0.0 109.071 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -81.44 -12.65 58.84 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.247 -0.908 . . . . 0.0 109.056 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.23 -2.59 71.57 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.741 -1.344 . . . . 0.0 109.741 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -94.74 141.5 28.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.195 -1.179 . . . . 0.0 109.738 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . . . . . . . . . 39.7 mm -117.45 135.57 57.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.562 -0.711 . . . . 0.0 109.425 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 CA-C-O 117.999 -1.445 . . . . 0.0 109.528 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.295 0.569 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 177' ' ' VAL . . . . . 0.438 ' H ' HG22 ' B' ' 177' ' ' VAL . 0.6 OUTLIER -68.0 154.27 94.04 Favored Pre-proline 0 N--CA 1.488 1.469 0 O-C-N 121.198 -0.939 . . . . 0.0 109.354 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -45.06 144.69 3.68 Favored 'Trans proline' 0 C--N 1.31 -1.457 0 C-N-CA 122.359 2.04 . . . . 0.0 112.059 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -107.07 147.49 29.92 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.372 -0.83 . . . . 0.0 109.408 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 180' ' ' ILE . . . . . 0.703 ' CD1' HD21 ' B' ' 186' ' ' ASN . 15.2 tt -124.69 136.4 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.429 -0.794 . . . . 0.0 109.606 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -89.64 148.24 23.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.306 -0.871 . . . . 0.0 109.223 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -60.2 -33.92 72.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.214 -0.929 . . . . 0.0 109.451 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 24.1 tttm -58.86 -36.64 74.95 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.208 -0.933 . . . . 0.0 109.557 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -94.69 136.6 34.81 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.24 -0.912 . . . . 0.0 109.473 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 39.6 t -124.75 137.96 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.451 -0.781 . . . . 0.0 109.666 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 186' ' ' ASN . . . . . 0.703 HD21 ' CD1' ' B' ' 180' ' ' ILE . 14.3 m-80 -74.94 158.83 32.65 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.207 -0.933 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 187' ' ' VAL . . . . . 0.437 ' CG1' ' NZ ' ' B' ' 191' ' ' LYS . 70.9 t -64.68 -45.49 95.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.283 -0.886 . . . . 0.0 109.587 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -61.55 -36.09 79.62 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.964 -1.085 . . . . 0.0 109.555 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -60.17 -46.03 91.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.388 -0.82 . . . . 0.0 110.864 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.61 -41.49 83.91 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.055 -1.028 . . . . 0.0 110.448 -179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 191' ' ' LYS . . . . . 0.437 ' NZ ' ' CG1' ' B' ' 187' ' ' VAL . 9.6 mttp -57.28 -41.3 79.48 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.654 -1.279 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.32 -39.12 92.04 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.172 -0.955 . . . . 0.0 109.025 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -62.43 -40.11 95.51 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.341 -0.849 . . . . 0.0 109.101 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 22.4 tttp -60.67 -42.72 97.64 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.343 -0.848 . . . . 0.0 109.292 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 195' ' ' LEU . . . . . 0.77 HD11 HD22 ' A' ' 53' ' ' LEU . 39.9 tp -60.35 -40.07 89.39 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.245 -0.909 . . . . 0.0 109.231 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -62.65 -40.21 96.31 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.872 . . . . 0.0 109.103 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -64.96 -34.99 79.73 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.2 -0.938 . . . . 0.0 108.987 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . 0.587 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 67.2 ttt-85 -60.48 -43.1 97.34 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.308 -0.87 . . . . 0.0 108.881 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . 0.472 HD22 HG21 ' A' ' 32' ' ' VAL . 1.7 tp -61.41 -41.43 97.14 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.269 -0.894 . . . . 0.0 108.708 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 200' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' B' ' 204' ' ' GLY . 94.1 mtt-85 -58.32 -37.29 74.81 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.339 -0.851 . . . . 0.0 108.756 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.99 82.25 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 202' ' ' LEU . . . . . 0.552 HD22 HG21 ' A' ' 56' ' ' ILE . 11.6 tp -59.06 -40.21 84.46 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . 0.491 ' HD3' HD22 ' A' ' 29' ' ' LEU . 72.8 mtm180 -88.16 -7.59 56.66 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.376 -0.827 . . . . 0.0 109.371 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 204' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' B' ' 200' ' ' ARG . . . . . . . . 0 N--CA 1.49 2.276 0 CA-C-O 117.98 -1.455 . . . . 0.0 109.536 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.8 mtp . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.352 0.596 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.65 ' HB1' ' CE ' ' A' ' 45' ' ' MET . . . -59.79 -37.05 78.02 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.094 -1.004 . . . . 0.0 109.173 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -63.29 -39.89 95.84 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.197 -0.939 . . . . 0.0 109.076 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -58.06 -42.53 85.67 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.861 ' HB2' HD23 ' A' ' 34' ' ' LEU . . . -64.4 -39.25 93.49 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.8 -46.7 84.27 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.275 -0.89 . . . . 0.0 109.491 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.464 ' O ' HG23 ' A' ' 11' ' ' THR . 9.3 tpt180 -60.69 -40.81 93.59 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.069 -1.02 . . . . 0.0 109.064 179.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.606 ' CG1' HD13 ' A' ' 27' ' ' LEU . 37.6 t -60.97 -38.78 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 O-C-N 121.33 -0.856 . . . . 0.0 108.924 179.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.38 -38.01 79.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 O-C-N 121.313 -0.867 . . . . 0.0 108.837 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.22 94.92 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.271 -0.972 . . . . 0.0 108.532 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 7' ' ' ARG . 4.3 p -67.54 -35.78 79.73 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.87 91.62 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.457 -0.777 . . . . 0.0 109.048 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -62.83 -42.08 99.59 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.304 -0.872 . . . . 0.0 108.987 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -61.01 -41.49 96.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.231 -0.918 . . . . 0.0 109.383 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -62.98 -41.09 99.46 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.351 -0.843 . . . . 0.0 109.521 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -58.65 -39.4 80.48 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.162 -0.961 . . . . 0.0 108.794 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.27 -30.63 70.58 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.471 -0.768 . . . . 0.0 109.09 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.4 t -83.66 -13.7 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.507 -0.746 . . . . 0.0 109.562 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.53 22.53 36.73 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.1 mt -95.66 54.44 1.55 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.251 -1.146 . . . . 0.0 108.906 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.11 -30.17 57.16 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.7 mm -58.45 -50.75 77.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.017 -1.284 . . . . 0.0 109.776 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 18.1 mm -65.24 -43.6 95.28 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.199 -0.938 . . . . 0.0 109.125 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.27 -40.83 96.38 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.703 ' CE2' HD11 ' A' ' 29' ' ' LEU . 63.2 t80 -61.72 -48.95 78.41 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.144 -1.209 . . . . 0.0 110.517 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.666 ' CG ' ' SD ' ' A' ' 93' ' ' MET . 74.9 t80 -68.63 -44.48 74.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.911 -1.118 . . . . 0.0 110.809 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.724 HD12 ' C ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -68.57 -36.55 78.92 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.121 -0.987 . . . . 0.0 110.337 -178.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.445 ' O ' HG13 ' A' ' 32' ' ' VAL . 85.1 mm-40 -63.24 -41.3 99.06 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.563 -1.336 . . . . 0.0 109.035 179.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.703 HD11 ' CE2' ' A' ' 25' ' ' TYR . 82.5 mt -60.58 -41.49 94.78 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.17 -0.956 . . . . 0.0 108.607 178.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.518 ' CE1' ' SG ' ' A' ' 130' ' ' CYS . 72.7 t80 -65.52 -36.73 84.69 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.34 -0.85 . . . . 0.0 109.416 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.62 87.83 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.27 -0.894 . . . . 0.0 109.894 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.481 HG21 HD22 ' B' ' 199' ' ' LEU . 0.7 OUTLIER -67.31 -39.75 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.887 -1.133 . . . . 0.0 108.815 179.487 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.419 ' N ' ' CG2' ' A' ' 32' ' ' VAL . 86.4 tt0 -61.27 -35.37 77.11 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 120.913 -1.117 . . . . 0.0 108.316 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.861 HD23 ' HB2' ' A' ' 5' ' ' ALA . 25.2 tp -64.53 -41.54 96.3 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.483 -0.76 . . . . 0.0 109.502 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.19 -47.68 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 O-C-N 121.31 -0.869 . . . . 0.0 110.159 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' CD1' ' N ' ' A' ' 36' ' ' LEU . 6.3 mp -63.24 -36.58 84.13 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.249 -0.907 . . . . 0.0 109.439 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.9 p -73.35 -21.4 60.55 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.575 ' OE2' ' NE ' ' A' ' 41' ' ' ARG . 84.4 tt0 -74.99 150.89 38.86 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.173 0.511 . . . . 0.0 109.724 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.21 150.2 14.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.345 -0.847 . . . . 0.0 109.252 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -58.49 135.51 57.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.32 -0.862 . . . . 0.0 110.391 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.575 ' NE ' ' OE2' ' A' ' 38' ' ' GLU . 68.8 mtt180 -122.67 170.8 9.67 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 57.0 p -57.38 168.76 0.72 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.249 -0.907 . . . . 0.0 109.941 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -56.45 -30.09 62.44 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.532 -0.73 . . . . 0.0 110.785 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -54.04 -40.33 67.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.785 -1.197 . . . . 0.0 109.306 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.65 ' CE ' ' HB1' ' A' ' 2' ' ' ALA . 7.8 tpt -65.33 -39.27 92.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.225 -0.922 . . . . 0.0 108.861 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 55.1 p -66.53 -34.77 78.65 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.458 -0.776 . . . . 0.0 109.142 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.16 99.02 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.275 -0.89 . . . . 0.0 108.702 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.6 mt -63.71 -37.42 87.29 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.403 -0.811 . . . . 0.0 109.163 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.76 -41.72 96.02 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.198 -0.939 . . . . 0.0 108.94 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.1 m -62.4 -40.01 95.11 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.309 -0.869 . . . . 0.0 109.351 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.3 -41.82 97.62 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.249 -0.907 . . . . 0.0 109.514 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.23 -39.59 93.3 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.117 -0.989 . . . . 0.0 109.333 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.638 HD22 HD11 ' B' ' 195' ' ' LEU . 40.4 tp -60.02 -40.98 91.17 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.194 -0.941 . . . . 0.0 109.009 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -61.75 -39.22 90.81 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.387 -0.821 . . . . 0.0 108.988 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 59' ' ' PHE . 45.0 m -60.11 -41.65 93.03 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.585 -0.697 . . . . 0.0 109.924 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 93.1 mt -59.02 -52.93 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.16 -0.963 . . . . 0.0 109.269 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.418 ' OE2' ' NH2' ' B' ' 198' ' ' ARG . 96.8 mt-10 -63.77 -36.85 85.24 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 179.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -67.91 -33.38 74.59 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.542 ' CD1' ' C ' ' A' ' 59' ' ' PHE . 0.3 OUTLIER -58.62 -52.99 63.33 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.309 -0.87 . . . . 0.0 108.804 179.661 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.647 ' NZ ' HG21 ' A' ' 83' ' ' ILE . 27.3 mttt -58.66 -40.01 82.27 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.065 -1.022 . . . . 0.0 108.836 179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -82.67 -1.45 51.18 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.473 -0.767 . . . . 0.0 110.156 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 58' ' ' ALA . 87.1 tt0 -48.4 -35.18 12.17 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.107 -0.995 . . . . 0.0 110.126 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.717 HD12 ' SD ' ' A' ' 79' ' ' MET . 77.4 mt -68.56 -36.11 73.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 120.942 -1.099 . . . . 0.0 109.744 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.81 -5.41 24.36 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.314 -1.514 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.63 -2.06 79.73 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -65.46 -46.72 78.72 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.112 -1.228 . . . . 0.0 108.654 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.1 t -68.03 -31.43 71.1 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.512 0.672 . . . . 0.0 109.213 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' ALA . 97.0 mt-10 -61.61 -29.05 69.79 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.588 -0.695 . . . . 0.0 109.94 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' GLU . . . -44.84 -38.23 4.42 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.964 -1.085 . . . . 0.0 109.545 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -111.61 135.31 52.37 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.349 -0.844 . . . . 0.0 109.07 179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 51.62 48.33 23.08 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.088 -1.007 . . . . 0.0 108.943 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 54.7 p -57.54 -33.93 68.61 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.223 -0.923 . . . . 0.0 110.133 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.44 ' O ' ' CG ' ' A' ' 77' ' ' HIS . 90.4 m-20 -62.18 -43.98 97.62 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.161 -0.962 . . . . 0.0 109.933 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -66.01 -40.63 91.28 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.212 -0.93 . . . . 0.0 110.19 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.4 m -60.7 -45.6 93.6 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.112 -0.992 . . . . 0.0 109.99 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.88 -36.39 80.17 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.24 -0.912 . . . . 0.0 109.513 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.44 ' CG ' ' O ' ' A' ' 73' ' ' ASP . 64.1 m170 -58.88 -45.22 90.72 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.369 -0.832 . . . . 0.0 110.004 -179.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 64.6 t -66.59 -48.98 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.15 -0.969 . . . . 0.0 109.91 -179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.717 ' SD ' HD12 ' A' ' 63' ' ' ILE . 70.8 mtm -67.27 -46.2 74.36 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.982 -1.074 . . . . 0.0 110.248 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.431 ' C ' ' HD1' ' A' ' 84' ' ' HIS . 2.9 m120 -69.36 -42.12 75.64 Favored 'General case' 0 C--N 1.3 -1.587 0 O-C-N 120.992 -1.067 . . . . 0.0 110.988 -178.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 77' ' ' HIS . 54.1 m -69.18 -49.25 58.31 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.081 -1.012 . . . . 0.0 111.891 -178.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.6 mt -72.59 -33.91 67.07 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.979 -1.076 . . . . 0.0 111.379 -178.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.647 HG21 ' NZ ' ' A' ' 60' ' ' LYS . 78.8 mt -79.24 -37.0 18.69 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 120.991 -1.068 . . . . 0.0 111.346 -178.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.431 ' HD1' ' C ' ' A' ' 80' ' ' ASN . 77.2 m80 -87.78 -27.96 21.98 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.89 -1.131 . . . . 0.0 111.419 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -83.07 100.21 10.36 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.661 -1.274 . . . . 0.0 109.903 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -62.49 -41.31 98.73 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.465 -0.772 . . . . 0.0 110.811 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.47 -43.7 98.18 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.097 -1.002 . . . . 0.0 109.792 -179.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -61.9 -31.57 71.88 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.79 -44.26 90.51 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.42 -0.8 . . . . 0.0 110.056 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -65.17 -49.11 71.08 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.007 -1.058 . . . . 0.0 111.22 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.084 HD13 ' N ' ' A' ' 92' ' ' TYR . 0.0 OUTLIER -65.08 -38.26 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 120.618 -1.301 . . . . 0.0 109.014 -178.707 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 1.084 ' N ' HD13 ' A' ' 91' ' ' ILE . 44.4 t80 -61.29 -45.47 94.35 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 179.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.666 ' SD ' ' CG ' ' A' ' 26' ' ' TYR . 70.1 mtm -70.3 -41.72 72.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.361 -0.837 . . . . 0.0 109.773 179.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.68 -40.02 90.61 Favored 'General case' 0 N--CA 1.485 1.297 0 O-C-N 121.144 -0.973 . . . . 0.0 109.373 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -63.65 -47.06 82.82 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.265 -0.897 . . . . 0.0 110.158 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -67.01 -40.94 87.4 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.183 -0.948 . . . . 0.0 110.041 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 93' ' ' MET . 0.1 OUTLIER -61.89 -45.04 95.46 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.001 -1.062 . . . . 0.0 109.448 -179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 91.0 mtp -65.81 -41.69 91.56 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.101 -0.999 . . . . 0.0 109.421 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 84.6 p -69.55 -34.31 74.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.369 -0.832 . . . . 0.0 109.512 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.9 tp -64.58 -42.63 95.48 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.151 -0.968 . . . . 0.0 109.58 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.656 ' CE1' ' SG ' ' A' ' 154' ' ' CYS . 83.1 t80 -64.97 -43.99 90.83 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.268 -0.895 . . . . 0.0 110.068 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -58.97 -44.7 91.58 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.225 -0.922 . . . . 0.0 109.91 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.33 -45.97 82.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.17 -0.956 . . . . 0.0 109.382 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -64.65 -36.81 85.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.24 -0.912 . . . . 0.0 109.188 179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.4 tp -55.6 -48.89 74.13 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.379 -0.826 . . . . 0.0 109.042 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -61.4 -37.73 84.5 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.157 -0.964 . . . . 0.0 109.321 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.586 ' O ' ' N ' ' A' ' 111' ' ' GLY . 95.8 mt-30 -60.39 -39.89 88.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.224 -0.922 . . . . 0.0 109.653 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.619 HD13 ' CE2' ' A' ' 157' ' ' TYR . 72.0 mt -65.76 -38.38 88.94 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.953 -1.092 . . . . 0.0 109.167 179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.5 mtpt -77.59 -52.93 8.22 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.442 -0.787 . . . . 0.0 110.388 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -84.06 -22.92 31.07 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.383 -0.823 . . . . 0.0 110.461 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.586 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -104.82 155.78 17.12 Favored Glycine 0 N--CA 1.493 2.483 0 C-N-CA 119.909 -1.139 . . . . 0.0 110.315 -179.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -66.47 154.48 74.16 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.89 2.393 . . . . 0.0 111.895 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.725 ' HE1' ' HH ' ' A' ' 157' ' ' TYR . 18.4 m-90 -91.06 126.42 36.14 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.182 -0.949 . . . . 0.0 109.84 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.402 ' H ' HD12 ' A' ' 117' ' ' LEU . 86.4 m-20 -134.05 164.28 27.67 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.424 -0.797 . . . . 0.0 108.947 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 116' ' ' MET . 2.4 m -62.76 -32.61 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 O-C-N 121.125 -0.985 . . . . 0.0 109.207 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.432 ' HA ' ' HE ' ' A' ' 119' ' ' ARG . 69.7 mtm -60.09 -40.58 90.08 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 109.348 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.402 HD12 ' H ' ' A' ' 114' ' ' ASP . 82.3 mt -63.96 -38.47 91.2 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.303 -0.873 . . . . 0.0 109.426 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -60.27 -40.94 92.13 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.211 -0.931 . . . . 0.0 109.038 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.432 ' HE ' ' HA ' ' A' ' 116' ' ' MET . 79.7 mtm180 -62.19 -39.34 92.38 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.545 -0.722 . . . . 0.0 109.384 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 85.7 p -64.28 -36.98 85.85 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.375 -0.828 . . . . 0.0 109.921 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.11 -40.45 90.71 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.152 -0.968 . . . . 0.0 109.538 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' TRP . . . . . 0.553 ' CZ2' HD21 ' A' ' 158' ' ' LEU . 80.5 m95 -61.81 -40.48 95.39 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.152 -0.967 . . . . 0.0 109.294 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' CYS . . . . . . . . . . . . . 72.3 m -64.83 -42.13 95.19 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.275 -0.891 . . . . 0.0 109.589 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 73.5 m -60.94 -48.23 82.76 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.176 -0.953 . . . . 0.0 109.617 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.22 -36.64 69.62 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 O-C-N 121.028 -1.045 . . . . 0.0 108.816 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -59.97 -39.2 84.84 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.253 -0.904 . . . . 0.0 108.929 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.9 mt -61.83 -43.63 98.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.263 -0.898 . . . . 0.0 109.287 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -67.02 -43.14 83.61 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.253 -0.905 . . . . 0.0 109.987 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.0 m -65.7 -38.11 88.32 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.186 -0.946 . . . . 0.0 110.499 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.518 ' SG ' ' CE1' ' A' ' 30' ' ' TYR . 71.4 m -68.09 -49.66 59.85 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 0.0 110.7 -178.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 16.3 pt -74.03 -38.18 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 120.93 -1.106 . . . . 0.0 110.152 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.862 HD13 HD23 ' A' ' 147' ' ' LEU . 51.3 tp -60.26 -41.37 93.11 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.251 -0.906 . . . . 0.0 109.565 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -69.43 -49.3 56.39 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.312 -0.868 . . . . 0.0 110.714 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 43.7 tp -63.39 -46.84 84.62 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.053 -1.029 . . . . 0.0 110.825 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.448 ' HA ' HD22 ' A' ' 138' ' ' ASN . 7.1 m-90 -87.87 5.36 40.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.075 -1.015 . . . . 0.0 110.458 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.59 -43.17 35.74 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.045 -1.034 . . . . 0.0 109.706 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -69.27 -21.33 63.9 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.244 -0.91 . . . . 0.0 109.362 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.448 HD22 ' HA ' ' A' ' 135' ' ' TRP . 28.2 m-80 -89.39 -5.2 57.64 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.365 -0.834 . . . . 0.0 110.527 -179.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 5.7 mt -112.3 146.79 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.318 -0.864 . . . . 0.0 109.764 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.7 m -77.1 154.91 32.81 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.449 -0.782 . . . . 0.0 109.336 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.34 -40.79 83.1 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.156 -0.965 . . . . 0.0 109.878 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' THR . . . . . . . . . . . . . 26.0 m -72.1 -42.79 65.71 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.818 -1.176 . . . . 0.0 109.298 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.2 m -59.23 -40.11 84.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.201 -0.937 . . . . 0.0 108.605 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.495 ' O ' ' OE1' ' A' ' 148' ' ' GLN . 0.4 OUTLIER -66.13 -38.3 87.81 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 178.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -54.13 -45.39 71.93 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.393 -0.817 . . . . 0.0 109.543 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 21.3 m -64.35 -46.49 83.22 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.082 -1.011 . . . . 0.0 109.444 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.862 HD23 HD13 ' A' ' 132' ' ' LEU . 60.0 tp -64.91 -39.67 93.88 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.282 -0.886 . . . . 0.0 109.668 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . 0.789 ' NE2' HD21 ' A' ' 132' ' ' LEU . 0.3 OUTLIER -62.47 -38.62 90.52 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.241 -0.912 . . . . 0.0 109.31 -179.829 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LYS . . . . . . . . . . . . . 79.9 mttt -64.06 -38.16 90.06 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.188 -0.945 . . . . 0.0 109.545 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -60.92 -41.26 95.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.158 -0.964 . . . . 0.0 109.006 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 84.3 mt -61.59 -40.97 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.465 -0.772 . . . . 0.0 109.037 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -58.87 -40.84 85.58 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.392 -0.818 . . . . 0.0 108.939 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' TYR . . . . . 0.433 ' HA ' HD12 ' A' ' 156' ' ' ILE . 65.7 t80 -59.05 -44.02 91.74 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.289 -0.882 . . . . 0.0 109.084 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' CYS . . . . . 0.656 ' SG ' ' CE1' ' A' ' 101' ' ' TYR . 78.7 m -63.9 -50.32 69.2 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.365 -0.834 . . . . 0.0 108.816 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -61.86 -34.93 76.89 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.469 -0.769 . . . . 0.0 109.199 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 153' ' ' TYR . 11.7 mt -58.08 -48.02 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.223 -0.923 . . . . 0.0 109.974 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.829 ' CE1' HD11 ' A' ' 166' ' ' ILE . 51.1 t80 -63.15 -41.07 99.2 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 179.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.553 HD21 ' CZ2' ' A' ' 122' ' ' TRP . 32.7 tp -62.75 -42.67 99.79 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.757 -0.59 . . . . 0.0 109.761 179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 20.8 m -64.46 -45.92 85.35 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.194 -0.941 . . . . 0.0 109.848 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -61.83 -42.81 99.49 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.159 -0.963 . . . . 0.0 109.04 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 27.7 tp -66.75 -35.17 79.48 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.342 -0.849 . . . . 0.0 109.035 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.86 -35.09 75.69 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.438 -0.789 . . . . 0.0 109.536 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -81.23 -8.49 59.76 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.195 -0.94 . . . . 0.0 108.921 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 92.79 -5.68 76.59 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -96.17 103.33 15.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.169 -1.195 . . . . 0.0 109.332 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ILE . . . . . 0.829 HD11 ' CE1' ' A' ' 157' ' ' TYR . 7.0 tp -141.68 146.97 22.39 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.408 0 O-C-N 121.07 -1.019 . . . . 0.0 109.826 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.018 0 CA-C-O 118.016 -1.435 . . . . 0.0 109.621 179.76 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 176' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 177' ' ' VAL . . . . . 0.417 ' H ' HG22 ' B' ' 177' ' ' VAL . 0.3 OUTLIER -67.84 153.38 95.27 Favored Pre-proline 0 N--CA 1.489 1.518 0 O-C-N 121.183 -0.948 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 178' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -60.23 143.57 99.51 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 122.612 2.208 . . . . 0.0 112.062 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 179' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.14 -33.67 74.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.263 -0.898 . . . . 0.0 109.405 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 180' ' ' ILE . . . . . . . . . . . . . 70.4 mt -116.11 136.66 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.461 -0.774 . . . . 0.0 109.425 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 181' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -82.74 141.38 32.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.235 -0.916 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 182' ' ' ALA . . . . . . . . . . . . . . . -148.34 156.68 42.81 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.274 -0.891 . . . . 0.0 109.669 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 183' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 57.54 41.43 25.84 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.524 -0.735 . . . . 0.0 109.697 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 184' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.17 143.62 55.18 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.175 -0.953 . . . . 0.0 109.399 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 185' ' ' VAL . . . . . . . . . . . . . 13.0 p -132.33 144.01 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.303 -0.873 . . . . 0.0 109.612 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 186' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -115.29 160.98 19.11 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.482 -0.761 . . . . 0.0 109.448 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 187' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.85 -39.84 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.245 -0.909 . . . . 0.0 109.415 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 188' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -59.11 -33.63 71.08 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 120.9 -1.125 . . . . 0.0 109.232 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 189' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -59.21 -47.65 84.53 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.442 -0.786 . . . . 0.0 110.662 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 190' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -67.22 -38.92 86.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.103 -0.998 . . . . 0.0 109.934 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 191' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -57.32 -42.03 81.06 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.726 -1.234 . . . . 0.0 109.029 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 192' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.48 -38.3 90.52 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.301 -0.875 . . . . 0.0 108.877 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 193' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.81 -39.52 92.05 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.362 -0.836 . . . . 0.0 108.962 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 194' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -60.53 -44.24 96.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.345 -0.847 . . . . 0.0 109.309 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 195' ' ' LEU . . . . . 0.638 HD11 HD22 ' A' ' 53' ' ' LEU . 25.6 tp -60.83 -39.58 89.55 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.249 -0.907 . . . . 0.0 109.153 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.43 96.74 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.341 -0.849 . . . . 0.0 109.602 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 197' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -64.7 -36.04 83.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.11 -0.994 . . . . 0.0 109.364 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . 0.418 ' NH2' ' OE2' ' A' ' 57' ' ' GLU . 76.9 ttt180 -61.39 -42.95 99.54 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.179 -0.95 . . . . 0.0 108.906 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . 0.481 HD22 HG21 ' A' ' 32' ' ' VAL . 1.5 tp -63.44 -41.73 98.68 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.404 -0.81 . . . . 0.0 109.476 179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 200' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' B' ' 204' ' ' GLY . 98.3 mtt180 -57.79 -36.54 72.32 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.269 -0.895 . . . . 0.0 109.116 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.21 88.07 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.117 -0.99 . . . . 0.0 108.432 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 202' ' ' LEU . . . . . . . . . . . . . 7.1 tp -65.61 -38.0 88.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.387 -0.821 . . . . 0.0 108.9 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -87.53 -7.32 57.72 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.443 -0.785 . . . . 0.0 109.364 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 204' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' B' ' 200' ' ' ARG . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 179.877 . . . . . . . . 1 1 . 1 stop_ save_