data_6okx_residue ############################ # Computer software used # ############################ 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 6okx _Structure_validation_residue.Date_analyzed 2020-02-21 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 ' 7' ' ' THR . . . . . . . . . . . . . 99.4 m . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 120.382 0.134 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.0 -21.41 60.0 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.299 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.25 -26.53 67.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.02 -36.63 80.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.776 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -63.36 -36.73 84.68 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.79 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.496 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 7.6 mp -62.62 -37.16 85.2 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.668 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.431 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 96.8 mt-30 -64.3 -36.86 85.5 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.768 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -62.28 -36.76 83.09 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.5 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.96 -36.71 84.39 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.333 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -74.23 -15.85 60.98 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.804 0.335 . . . . 0.0 110.131 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 13' ' ' GLN . 33.3 m120 -91.72 5.86 48.15 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.667 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -62.29 -20.5 64.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.33 -36.53 80.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.615 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.93 -24.43 67.86 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.989 -0.285 . . . . 0.0 111.094 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.77 -39.22 90.89 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.581 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 60.1 mp0 -64.52 -35.37 80.75 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.394 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.44 -23.46 66.89 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.494 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.57 -38.04 86.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.371 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.34 -38.54 89.88 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.384 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.32 -36.0 80.83 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.65 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.441 ' O ' ' OG ' ' A' ' 30' ' ' SER . 59.8 ttp180 -60.85 -38.05 84.2 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.58 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.59 -35.42 80.45 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.54 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -64.35 -28.32 69.62 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 121.039 -0.265 . . . . 0.0 111.267 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 87.5 p -62.88 -23.28 67.26 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.582 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.5 179.856 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 N--CA 1.463 0.218 0 CA-C-O 120.527 0.203 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -61.6 -37.85 85.4 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.95 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -64.05 -34.96 79.2 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.286 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -22.84 66.2 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.447 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.13 -37.71 83.79 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.18 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -62.33 -37.67 86.53 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.179 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -67.59 -22.75 65.35 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.963 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -25.42 66.33 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.719 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.11 -29.67 70.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.275 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.513 -179.913 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.3 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.898 0.38 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.46 -18.39 51.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.147 0.498 . . . . 0.0 110.269 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.37 -36.9 81.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.467 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.82 -25.01 67.98 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.651 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -61.94 -37.12 83.53 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.728 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 8.0 mp -62.27 -37.08 84.1 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.455 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.92 -36.91 85.49 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.665 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -62.69 -36.05 81.67 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.675 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.3 -28.04 68.38 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.504 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -66.24 -23.01 66.34 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.458 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.09 -36.56 82.07 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.574 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.01 -37.87 86.49 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.438 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.93 -25.6 67.69 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.37 -25.65 68.04 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.18 -37.79 86.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.375 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.46 -35.85 80.61 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.611 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.58 -26.64 68.09 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.453 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.21 -37.82 86.81 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.43 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.26 -28.95 69.11 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.388 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.82 -38.04 86.69 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.198 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -61.0 -38.19 85.17 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.26 -36.15 82.7 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.467 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -62.03 -36.93 83.07 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.572 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.3 t -61.15 -39.32 89.63 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.604 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 CA--C 1.529 0.163 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.459 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.7 mttp . . . . . 0 C--O 1.232 0.153 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.42 -36.54 82.69 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.643 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -65.35 -27.97 68.96 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.92 -23.43 67.36 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.41 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.64 -37.34 83.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.254 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -61.44 -38.47 87.29 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.549 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -63.27 -37.35 86.9 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.686 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.75 -22.55 62.24 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.136 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -78.54 -12.5 60.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.86 0.362 . . . . 0.0 110.422 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.645 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.9 m . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.464 0.173 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.72 -21.22 62.58 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.047 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -73.44 -17.35 61.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.596 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.62 -35.77 76.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.687 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -58.22 -26.14 62.49 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.982 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.08 -36.29 83.53 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.164 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.35 -35.08 79.71 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.669 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -59.58 -38.05 80.14 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.664 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.27 -34.82 78.5 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.23 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.33 -36.32 79.84 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -95.95 15.31 20.86 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.567 0.222 . . . . 0.0 111.065 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -59.94 -18.52 45.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 0.0 110.372 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.85 -23.13 66.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.36 -26.04 67.56 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.421 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 98.7 mt-10 -63.0 -35.86 81.64 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.63 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -67.15 -26.02 66.45 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.147 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.08 80.94 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.896 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 59.9 mp0 -63.04 -36.14 82.58 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.352 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.93 -38.14 87.31 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.422 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.83 -32.6 72.93 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.783 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -59.91 -37.95 80.9 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.615 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.446 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 8.1 mp -62.14 -37.18 84.19 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.522 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -61.45 -38.12 86.06 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.38 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.5 m -61.5 -36.69 81.21 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.66 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.531 0.217 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.714 -179.793 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.5 tttp . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.55 -36.5 82.83 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.776 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.55 -36.36 82.39 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.713 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.19 -36.03 78.76 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.668 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.31 -28.14 68.99 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.61 0.243 . . . . 0.0 111.006 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -61.68 -15.78 43.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.001 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -56.43 -19.0 12.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.739 0.304 . . . . 0.0 110.85 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.98 -23.37 65.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.731 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.11 -38.56 89.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.468 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 . . . . . 0 C--N 1.333 -0.151 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.66 -179.802 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 94.3 m . . . . . 0 CA--C 1.531 0.248 0 CA-C-O 120.613 0.244 . . . . 0.0 111.401 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.53 -14.68 62.18 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.669 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 46.4 p-10 -67.79 -18.39 64.84 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.414 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -61.72 -38.07 86.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.456 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.12 -36.7 85.1 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.736 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.08 -39.23 94.09 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.512 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.09 -37.13 86.33 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.555 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -61.69 -37.8 85.47 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.348 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.06 -39.16 91.45 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.216 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -70.19 -20.77 63.1 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.835 0.35 . . . . 0.0 110.107 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -97.18 8.75 43.9 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.444 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.25 -38.04 87.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.397 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.1 -27.36 68.87 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.431 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.43 -26.77 68.68 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.5 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.06 -38.58 89.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.354 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.31 -36.33 83.32 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.583 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.76 80.55 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.644 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -84.24 -18.62 35.89 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.879 0.371 . . . . 0.0 110.443 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.77 -41.37 97.97 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.399 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -71.28 -19.54 62.33 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.93 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.419 ' O ' ' OG ' ' A' ' 30' ' ' SER . 63.3 ttm-85 -61.78 -38.42 88.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.8 mt -65.26 -32.9 74.8 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.296 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.42 -38.38 83.87 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.513 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 91.5 p -61.77 -34.3 75.62 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.501 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.221 179.78 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.8 pttt . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.799 0.333 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.83 -27.27 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.355 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.43 -29.71 70.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.408 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.29 -24.38 67.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.71 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.13 -35.93 80.25 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.37 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -61.52 -38.18 86.45 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.411 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.72 -35.86 81.1 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.2 -23.59 56.19 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.86 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.67 -32.59 74.32 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 CA--C 1.532 0.269 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.126 179.822 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.7 m . . . . . 0 CA--C 1.533 0.298 0 CA-C-O 120.531 0.205 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -19.37 50.3 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.392 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 52.4 p-10 -62.45 -17.58 59.74 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.306 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.514 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -60.85 -36.31 78.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.7 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -63.04 -35.86 81.64 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.551 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.41 -36.38 83.55 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.343 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.88 -36.97 85.68 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.623 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.11 -37.29 82.23 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.515 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.11 -36.17 80.94 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.489 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.06 -38.17 85.23 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.085 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.26 -36.13 81.1 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.445 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -61.56 -37.65 84.6 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.55 79.46 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.495 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.85 -36.55 79.43 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.38 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.74 -36.86 82.22 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.11 -37.74 83.82 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.245 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.64 -36.64 79.16 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.468 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.11 -37.73 86.23 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.306 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.64 -37.47 81.6 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.479 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.91 -36.05 76.17 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.628 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -59.87 -38.6 82.63 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.781 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 8.3 mp -63.64 -36.4 83.72 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.626 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -65.59 -24.46 67.08 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.749 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.6 m -62.32 -37.57 86.08 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.501 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 . . . . . 0 CA--C 1.529 0.163 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.498 179.932 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.4 pttt . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 120.738 0.304 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -63.02 -36.45 83.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.548 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.35 -35.17 79.51 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.927 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.38 -22.74 66.37 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.174 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.69 -36.29 80.48 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.757 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -63.15 -36.25 82.99 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.726 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -66.35 -21.74 66.25 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.646 0.26 . . . . 0.0 110.87 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.77 -24.71 65.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.801 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.18 -38.2 88.16 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.413 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 CA--C 1.528 0.134 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.862 -179.538 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 99.9 m . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 120.431 0.158 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.47 -18.59 51.71 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.946 0.403 . . . . 0.0 110.297 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.41 -36.27 83.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.751 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.17 -26.07 68.64 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.281 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.55 -27.5 68.49 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.984 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.497 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 7.7 mp -63.01 -23.1 67.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.656 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -55.58 -20.9 14.95 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.232 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.6 -38.04 86.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.476 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.52 -28.13 68.31 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.278 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -61.22 -37.81 84.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -61.97 -36.82 82.58 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.626 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -63.69 -35.28 80.03 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.623 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.41 -24.2 67.27 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.507 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.15 -24.54 67.23 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.324 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.04 -37.61 85.59 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.415 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.12 -35.73 79.6 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.959 -0.297 . . . . 0.0 110.638 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.35 -25.83 67.41 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.462 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.33 -38.17 88.45 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.25 -34.88 79.13 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.604 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.1 -27.43 69.09 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.9 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.446 ' O ' ' OG ' ' A' ' 30' ' ' SER . 77.4 mtp85 -62.49 -35.87 80.72 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.695 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.15 -39.13 91.57 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.414 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.79 -29.54 69.52 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 121.165 -0.214 . . . . 0.0 111.43 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 97.0 p -63.95 -21.58 66.54 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.117 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 C--N 1.329 -0.295 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.604 -179.784 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.77 0.319 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.33 -36.1 75.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.444 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -58.6 -19.24 36.83 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.419 -0.513 . . . . 0.0 110.521 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.56 -24.34 67.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.169 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.68 -34.61 77.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.7 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 -60.55 -37.76 82.3 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.738 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -68.32 -22.89 64.68 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.191 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.83 -28.94 69.18 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.011 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.494 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 7.8 mp -62.67 -37.07 84.98 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.976 -0.289 . . . . 0.0 110.715 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.529 0.154 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.663 -179.856 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.1 m . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.435 0.16 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.67 -22.01 66.87 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.906 0.384 . . . . 0.0 110.119 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 63.9 t0 -62.5 -35.94 80.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.401 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.24 81.04 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.66 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.29 -38.0 87.66 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.023 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.79 -35.38 80.92 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.319 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -63.02 -36.94 85.23 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.668 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.421 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 89.6 mmt-85 -66.19 -25.73 67.07 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.028 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.4 mt -76.26 -16.0 59.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.392 . . . . 0.0 110.155 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -61.1 -37.93 84.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.54 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 53.5 p30 -82.39 3.59 27.36 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.745 0.307 . . . . 0.0 110.809 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.03 -37.65 85.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.009 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.24 -26.79 67.98 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.77 -24.13 67.57 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.118 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.92 -37.88 86.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.006 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.08 -35.99 80.34 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.409 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.5 77.44 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.451 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -64.53 -18.64 65.01 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.798 0.333 . . . . 0.0 111.128 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.7 tp -58.21 -35.45 71.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.475 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -56.79 -18.61 13.41 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.646 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -62.52 -36.87 83.96 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.54 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.3 mt -82.55 -14.71 54.43 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.787 0.327 . . . . 0.0 110.544 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.26 -38.0 85.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.475 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.8 p -61.57 -33.52 74.01 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.587 179.862 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 120.595 0.236 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -61.98 -22.57 65.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.055 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -63.35 -22.2 66.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.339 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.05 -22.8 67.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.347 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.07 -36.68 82.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.59 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.14 -37.98 89.37 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.441 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -70.28 -33.51 71.66 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.34 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.07 79.89 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -177.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 pp -72.0 -27.13 62.54 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.209 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.282 179.485 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.2 m . . . . . 0 CA--C 1.532 0.264 0 CA-C-O 120.326 0.108 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.71 -21.73 62.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.94 0.4 . . . . 0.0 110.157 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.8 -24.22 64.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.519 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.8 -37.08 80.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.558 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.74 -36.69 84.72 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.467 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.57 -34.89 79.31 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.265 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.11 -36.15 82.63 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.746 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.433 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 83.3 mtp180 -62.7 -35.04 78.41 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.604 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.5 -24.16 65.55 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.05 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.88 -24.52 67.56 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.254 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 53.2 p30 -78.33 -1.44 33.22 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.983 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -67.17 -26.93 66.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.508 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.6 -23.69 67.17 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.488 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.92 -24.84 67.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.315 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -62.21 -36.19 81.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.514 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.25 -36.08 80.92 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.595 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.62 79.93 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.477 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.42 -35.88 80.63 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.54 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.73 -28.93 69.41 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.235 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.84 -38.01 86.63 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.462 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -63.08 -35.74 81.27 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.475 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.66 -29.32 69.86 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.632 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.48 -34.39 76.75 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.798 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.9 p -60.43 -29.43 69.0 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.783 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--N 1.329 -0.294 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.294 179.597 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 CA--C 1.533 0.292 0 N-CA-C 111.641 0.238 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -60.95 -38.6 86.46 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.464 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.63 -34.36 78.03 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.676 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.42 -16.41 54.86 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 110.652 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.11 -34.81 72.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.284 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -57.2 -24.55 55.25 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.838 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.97 -22.18 64.12 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.918 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.33 -22.61 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.675 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -75.66 -13.17 60.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.38 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.711 -179.816 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.7 p . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.778 0.323 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -18.16 41.2 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.679 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 59.1 p30 -66.33 -17.66 64.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.489 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.518 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -61.31 -36.57 80.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.757 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.06 -36.58 84.04 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.704 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.69 -36.54 84.19 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.541 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.15 -37.11 86.26 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.808 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.64 -36.74 83.79 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.652 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.11 -38.71 89.95 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.139 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -70.16 -19.96 63.17 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.938 0.399 . . . . 0.0 109.961 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -90.96 1.79 56.76 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.543 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.32 -38.08 88.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.404 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.47 80.32 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.615 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.03 -30.43 70.3 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.483 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.9 -38.07 87.01 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.52 -35.79 80.53 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.759 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.66 79.49 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.26 -36.23 81.4 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.643 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.34 -35.41 80.3 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.504 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.39 -24.99 67.83 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.797 0.332 . . . . 0.0 110.628 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -61.1 -38.08 85.03 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.95 -28.68 68.48 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.485 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.01 -38.36 85.81 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.491 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.4 p -61.69 -34.95 76.67 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.843 0.354 . . . . 0.0 110.493 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.733 179.868 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.577 0.227 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.34 -36.69 82.98 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.668 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.65 -35.68 80.4 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.955 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.17 -23.8 66.81 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.728 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.86 -26.06 67.11 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.709 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -62.19 -15.59 47.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -56.04 -18.15 8.78 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.321 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.41 76.66 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.138 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.495 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 3.2 mm? -63.13 -35.58 80.76 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.511 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 . . . . . 0 CA--C 1.529 0.167 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.792 -179.699 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.5 m . . . . . 0 CA--C 1.533 0.308 0 CA-C-O 120.645 0.259 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.444 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -59.92 -19.05 49.58 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.581 -178.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 51.5 p-10 -65.05 -18.52 65.37 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.959 -0.697 . . . . 0.0 110.508 -179.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -62.12 -38.73 90.03 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.065 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 8' ' ' ALA . 60.0 mp0 -64.32 -36.43 84.11 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.701 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.487 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 7.7 mp -62.75 -36.69 83.86 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.622 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.84 -37.09 86.08 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.652 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.8 ttp-105 -61.32 -38.66 87.67 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.774 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.71 -39.56 94.42 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -68.49 -23.67 64.59 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.341 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -96.12 20.55 10.05 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.437 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -63.82 -19.3 64.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.55 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.11 -36.45 79.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.88 -26.58 68.24 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.491 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -38.13 87.66 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.373 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.58 -37.75 87.4 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.373 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.29 79.3 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.512 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.15 -36.24 81.23 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.599 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.02 -38.6 89.27 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.404 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.22 -36.17 81.16 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.744 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -60.94 -37.74 83.39 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.553 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.99 -38.82 90.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.402 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.0 -36.37 81.33 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.657 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.3 t -61.06 -38.94 87.99 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.744 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.529 0.164 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.708 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 CA--C 1.528 0.121 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -67.51 -23.75 65.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.559 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.81 -37.07 83.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.565 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.15 -34.84 74.11 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.519 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.2 -34.51 75.2 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.34 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -61.02 -39.41 89.64 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.614 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.43 -37.67 88.19 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.79 -24.28 63.98 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.198 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.7 mt -76.54 -14.34 60.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.759 0.314 . . . . 0.0 110.326 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.483 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.5 m . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.504 0.193 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.61 -17.96 52.66 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.839 0.352 . . . . 0.0 110.069 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -65.5 -27.58 68.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.527 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.24 -36.26 79.49 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.733 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.84 -37.17 85.76 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.806 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.486 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 7.7 mp -62.91 -36.85 84.74 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.591 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.91 -37.18 86.46 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.665 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -60.83 -38.78 86.64 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.471 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.78 -35.95 81.51 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.503 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.83 -38.3 84.98 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.415 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.46 -36.19 79.73 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.479 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.26 -34.7 78.23 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.61 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.91 -23.82 66.57 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.453 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.02 -25.53 67.71 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.246 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.21 -37.83 86.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.421 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.45 -34.4 76.72 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.645 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.66 -33.54 72.97 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.753 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.69 -21.57 64.57 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.699 0.285 . . . . 0.0 110.818 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.87 -19.3 64.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.652 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -57.76 -18.83 23.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.447 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -62.15 -36.28 81.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.78 -35.3 80.14 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.423 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.67 -26.3 68.32 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.024 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.5 m -62.52 -26.15 68.4 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.694 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.129 -179.659 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 120.472 0.177 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -60.94 -39.18 88.5 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.314 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.21 -28.47 69.4 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.74 0.305 . . . . 0.0 110.844 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.79 -25.46 67.5 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.734 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.25 -35.49 79.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.605 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -61.42 -38.3 86.65 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.647 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.9 -23.46 65.11 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.614 0.245 . . . . 0.0 111.081 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.39 -24.62 66.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.84 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.7 mt -79.32 -11.87 59.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.347 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.479 -179.917 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.466 0.351 0 CA-C-O 120.855 0.36 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.17 -17.72 62.69 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.76 -36.24 80.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.582 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.06 80.78 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.603 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.43 -36.76 84.8 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.429 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.35 -28.53 67.21 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.245 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -61.73 -37.44 84.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.536 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -61.14 -37.99 84.83 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.376 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.9 -35.07 79.47 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.457 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.4 -29.71 70.96 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.824 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -61.79 -36.62 81.62 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.695 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.34 -37.59 86.24 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.416 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.56 -24.15 67.38 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.666 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.32 -23.89 67.02 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.511 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.19 -36.28 81.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.619 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.18 -37.58 85.8 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.418 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.5 77.15 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.567 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.22 -27.86 69.35 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.599 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.92 -38.76 89.6 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.425 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.77 -38.48 88.19 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.288 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.415 ' O ' ' OG ' ' A' ' 30' ' ' SER . 44.0 ttm180 -61.89 -38.27 87.71 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.697 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.24 -36.95 85.35 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.652 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.92 -38.38 88.18 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.947 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 94.6 p -63.04 -24.39 67.89 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.811 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.53 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 120.538 0.209 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.61 -38.62 88.27 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.532 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.22 -30.35 71.23 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.565 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.37 -25.74 68.08 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.526 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.43 -28.25 69.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.582 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -68.36 -23.9 64.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.788 0.328 . . . . 0.0 110.193 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -72.6 -18.29 61.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.44 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.97 -24.13 66.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.506 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.0 -26.98 67.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.371 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.578 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.6 m . . . . . 0 CA--C 1.531 0.245 0 CA-C-O 120.694 0.283 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.01 -14.89 62.5 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.644 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 44.5 p-10 -67.47 -17.51 64.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.475 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.509 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -60.95 -37.99 84.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.18 -36.85 85.5 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.476 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.69 -35.51 81.29 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.175 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.59 -35.83 81.79 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.467 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -60.62 -38.0 83.3 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.43 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.96 -39.33 91.77 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.629 -0.428 . . . . 0.0 109.959 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.9 -37.73 85.69 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.368 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 64.0 t-20 -60.46 -36.82 79.18 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.652 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -62.03 -36.7 82.35 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.345 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.62 -23.28 66.98 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.554 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.61 -26.35 67.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.469 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.414 ' OE2' ' OE1' ' A' ' 24' ' ' GLU . 52.8 tp10 -61.71 -38.31 87.41 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.45 -34.79 78.52 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.569 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.53 -27.07 68.34 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.005 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.414 ' OE1' ' OE2' ' A' ' 21' ' ' GLU . 98.8 mt-10 -62.18 -36.24 81.29 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.547 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' CD1' ' N ' ' A' ' 25' ' ' LEU . 7.9 mp -62.48 -36.15 81.57 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.487 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.47 -37.6 84.2 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -61.98 -36.35 81.2 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.582 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.48 -29.5 70.17 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.319 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.14 -38.39 86.24 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.618 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.8 t -61.22 -38.94 88.4 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.617 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--N 1.332 -0.189 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.758 -179.751 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 N--CA 1.465 0.28 0 N-CA-C 111.353 0.131 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.03 -36.82 82.73 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.891 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.21 -29.24 70.03 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.703 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.46 -18.69 65.51 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.692 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -62.89 -19.2 63.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.245 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -58.68 -23.74 59.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.455 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -68.81 -21.89 64.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.975 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -24.4 65.55 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.742 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.59 -32.23 73.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.122 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.935 -179.757 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.1 m . . . . . 0 CA--C 1.53 0.198 0 CA-C-O 120.382 0.134 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.31 -23.06 66.91 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.477 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.44 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 97.7 m-20 -63.19 -36.65 84.35 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.773 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.21 -25.56 67.87 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.94 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.14 -38.28 88.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.06 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 8.0 mp -62.45 -38.96 91.81 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.173 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 9' ' ' ASP . 26.2 mp0 -70.49 -24.84 62.92 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.705 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -60.58 -37.71 82.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.488 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 8.0 mp -61.92 -37.68 85.59 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.504 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.82 -36.86 84.59 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.45 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.36 -36.79 83.35 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.585 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.39 -38.4 89.48 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.52 -23.0 67.13 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.455 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.07 -17.63 34.59 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.805 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.1 -38.3 90.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.749 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -68.98 -19.15 64.14 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.921 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.64 81.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.672 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -62.03 -39.2 91.51 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.106 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.94 -39.09 93.36 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.323 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.24 -36.67 84.42 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.5 mmm-85 -63.17 -36.73 84.59 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.397 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.4 mt -82.28 -15.13 54.08 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.774 0.321 . . . . 0.0 110.454 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.662 ' HZ3' ' NZ ' ' A' ' 37' ' ' LYS . 64.6 tttm -61.59 -38.33 87.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.466 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.4 p -61.6 -34.75 76.18 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.476 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.586 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.662 ' NZ ' ' HZ3' ' A' ' 29' ' ' LYS . 88.1 tttt . . . . . 0 CA--C 1.529 0.147 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.36 -36.78 83.32 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.631 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.22 -21.66 66.31 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.77 0.319 . . . . 0.0 110.8 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.19 -19.48 61.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -58.9 -19.93 46.83 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.487 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -61.62 -37.8 85.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.493 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -68.39 -22.9 64.62 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.662 0.268 . . . . 0.0 111.006 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -25.95 67.3 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.863 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 3.0 mm? -63.13 -37.05 85.69 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.567 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 . . . . . 0 CA--C 1.53 0.183 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.553 179.795 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.3 m . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.492 0.187 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.46 -18.95 62.28 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.901 0.381 . . . . 0.0 110.204 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 64.9 t0 -62.13 -36.44 81.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.638 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.23 -29.99 70.17 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.503 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.87 -37.66 85.35 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.561 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.12 -36.63 84.25 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.394 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.79 -36.22 83.16 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.581 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -64.07 -28.81 70.04 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.671 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.65 -27.46 68.39 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.437 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.25 -25.95 68.28 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.422 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -61.86 -36.52 81.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.548 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.43 -37.51 86.12 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.362 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.84 -25.31 67.45 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.467 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.46 -24.59 67.53 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.3 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.02 -37.63 85.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.398 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.16 -35.85 80.07 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.679 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -27.0 68.3 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.391 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.99 -37.44 84.83 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.265 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.26 -34.19 77.14 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.569 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.59 -26.84 68.87 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.969 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.434 ' O ' ' OG ' ' A' ' 30' ' ' SER . 99.5 mtt180 -62.17 -36.27 81.34 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.567 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.22 -38.61 89.86 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.296 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -61.41 -39.09 89.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.699 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 93.9 p -62.92 -33.8 76.09 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.583 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.712 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt . . . . . 0 C--O 1.232 0.183 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.1 -36.83 82.89 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.678 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.83 -35.96 81.65 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.6 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.28 -19.87 65.7 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.7 0.286 . . . . 0.0 110.785 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.21 -37.52 80.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.721 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -62.44 -36.33 82.07 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.529 ' CD ' ' N ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -66.12 -23.02 66.42 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.729 0.299 . . . . 0.0 110.838 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.74 -23.05 64.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.732 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.6 mt -64.76 -31.72 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.585 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 CA--C 1.529 0.16 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.847 -179.612 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.433 0.158 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.88 -21.36 62.41 Favored 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -77.45 -16.64 58.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.612 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.39 -36.59 78.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.516 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -60.18 -25.38 65.52 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.753 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -80.26 -16.61 54.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.26 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.77 -37.21 85.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.656 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -62.68 -36.39 82.76 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.746 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.86 -39.0 90.34 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.403 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.5 -38.41 87.22 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.348 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.12 -36.57 82.16 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.637 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.28 -34.65 78.15 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.484 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.9 -23.4 66.3 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.609 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.26 -27.2 68.29 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.484 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.12 -35.29 79.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.489 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.49 -35.1 78.28 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.752 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.26 -26.93 68.1 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.766 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.54 -25.72 67.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.766 0.317 . . . . 0.0 110.459 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.92 -26.03 66.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.325 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.07 -36.13 80.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.964 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -62.11 -36.74 82.65 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.678 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.489 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 7.7 mp -63.42 -36.21 82.98 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.462 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.76 -29.65 69.53 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.029 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.2 m -58.56 -16.21 14.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.592 0.234 . . . . 0.0 111.023 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 . . . . . 0 C--N 1.329 -0.317 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.679 -179.552 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt . . . . . 0 N--CA 1.462 0.173 0 CA-C-O 120.857 0.36 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -61.45 -23.36 65.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.217 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.63 -35.8 80.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.509 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.34 -21.96 66.58 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.703 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.01 -37.04 81.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.423 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -60.61 -38.13 83.7 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -62.18 -36.74 82.81 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.87 -14.86 10.14 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.858 0.361 . . . . 0.0 111.056 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.9 tp -57.92 -37.36 73.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 . . . . . 0 N--CA 1.462 0.149 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.362 -179.696 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.2 p . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.85 0.357 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.72 -18.46 54.52 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.264 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.37 -35.03 76.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.722 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.22 -37.29 79.85 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.783 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.59 -36.7 84.68 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.582 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.4 -35.26 80.32 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.06 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -63.77 -35.05 79.31 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.009 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.6 mmm-85 -60.59 -36.42 78.49 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.442 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.6 tp -61.47 -38.89 88.88 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.553 -0.459 . . . . 0.0 109.99 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.52 -38.09 86.13 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.338 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 63.4 t-20 -60.28 -37.26 79.93 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.462 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.06 -35.46 80.31 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.422 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.47 -24.21 67.33 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.482 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.22 -24.74 67.4 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.333 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.37 -36.02 80.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.49 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.39 -37.45 85.79 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.468 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.42 -27.83 68.82 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.432 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.3 -37.89 87.27 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.371 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.81 -36.1 82.06 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.392 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.86 -38.17 87.26 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.458 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.427 ' O ' ' OG ' ' A' ' 30' ' ' SER . 95.3 mtt-85 -62.8 -36.74 84.13 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.539 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.51 -39.07 92.32 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.475 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.51 -38.52 87.67 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.113 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 91.9 p -61.78 -33.67 74.51 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.61 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.676 179.911 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt . . . . . 0 CA--C 1.533 0.327 0 N-CA-C 111.354 0.131 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.61 -38.72 88.66 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.609 -0.437 . . . . 0.0 111.441 -178.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 58.9 mp0 -67.47 -29.16 68.54 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.292 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.87 -24.46 67.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.408 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.12 -36.08 80.69 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.39 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -63.02 -36.6 84.1 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.699 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.42 -37.14 84.7 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.578 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.68 -22.96 62.68 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.203 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.36 -35.24 79.75 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.393 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.333 -0.129 0 CA-C-O 120.762 0.315 . . . . 0.0 110.358 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.7 m . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.352 0.12 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.96 -19.19 52.31 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.926 0.393 . . . . 0.0 110.129 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.07 -36.55 83.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.552 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.48 -28.15 69.63 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.645 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -70.07 -24.37 63.23 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.691 0.282 . . . . 0.0 110.84 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.2 -16.4 63.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.709 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -52.35 -21.02 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.506 -179.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -61.29 -38.36 86.51 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.425 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.87 -35.34 80.31 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.256 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.0 -25.37 68.1 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.507 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -61.17 -36.34 79.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.36 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.47 -37.45 85.98 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.425 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.71 -25.5 67.46 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.555 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.97 -35.56 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.239 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.06 -35.75 79.58 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.41 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.63 -37.6 84.56 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.204 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.05 -34.95 75.68 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.503 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -63.95 -24.84 67.88 Favored 'General case' 0 C--N 1.334 -0.078 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.32 -35.26 76.89 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.485 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.427 ' C ' ' N ' ' A' ' 28' ' ' LEU . 80.7 mm-40 -59.9 -17.97 41.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.14 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.426 ' O ' ' OG ' ' A' ' 30' ' ' SER . 15.5 ptm180 -48.62 -17.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.033 0.444 . . . . 0.0 110.544 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 26' ' ' GLU . 59.6 tp -58.71 -36.48 74.32 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.281 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -57.51 -26.22 61.01 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.098 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 95.4 p -63.23 -22.81 67.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.898 0.38 . . . . 0.0 110.235 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.406 179.742 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 tptm . . . . . 0 CA--C 1.528 0.106 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.26 -38.29 86.16 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.02 -29.29 70.19 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.557 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.95 -24.21 67.77 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.624 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.87 -35.22 79.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.474 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -62.58 -36.4 82.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.75 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -67.06 -23.06 65.84 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.699 0.285 . . . . 0.0 111.07 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.13 65.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.719 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.2 mt -66.19 -29.06 69.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.349 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 . . . . . 0 CA--C 1.53 0.201 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.263 -179.91 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.0 m . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 120.4 0.143 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.54 -21.97 66.66 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.96 0.409 . . . . 0.0 110.076 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 62.5 t0 -63.35 -35.05 79.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.534 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.0 79.84 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.72 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.28 -36.75 84.72 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.409 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.4 -35.7 81.76 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.378 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.96 -35.91 82.25 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.787 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -63.98 -26.21 68.48 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.365 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.07 -38.85 90.37 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.097 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -70.35 -19.79 63.02 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -97.05 9.28 42.53 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.359 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.91 -37.78 85.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.446 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.8 -36.57 79.37 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.673 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.03 -36.74 80.36 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.594 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.12 -37.95 87.1 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.385 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 98.8 mt-10 -62.68 -36.12 81.87 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.667 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -25.15 67.78 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.614 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.91 -37.68 87.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.23 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.0 -40.7 94.54 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.934 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' A' ' 22' ' ' GLU . 59.3 mp0 -64.12 -36.49 84.22 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.411 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -63.11 -35.84 81.61 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.601 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.74 -39.16 90.58 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.509 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.23 -38.39 86.46 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.563 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.8 m -61.68 -36.55 81.19 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.653 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.53 0.183 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.628 -179.883 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt . . . . . 0 N--CA 1.462 0.146 0 CA-C-O 120.504 0.192 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -59.64 -22.26 61.62 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.48 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -66.22 -26.0 67.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.473 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.71 -23.83 67.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.443 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.1 -36.02 80.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.499 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.81 -36.68 83.96 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.555 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -62.91 -36.95 85.05 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.66 -21.8 61.01 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.223 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.6 -28.54 69.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.41 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 N--CA 1.465 0.308 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.623 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.34 86.07 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.704 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.38 -35.15 79.45 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.25 -37.37 82.85 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.603 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.98 -37.03 85.91 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.678 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.94 -33.8 76.91 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.546 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -62.75 -35.18 78.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.098 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -59.98 -38.99 84.14 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.015 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 3.3 mm? -63.15 -37.95 89.23 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.48 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -69.65 -23.59 63.5 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.274 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -98.22 9.3 43.28 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.452 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.42 -37.82 87.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.38 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.13 -25.52 67.79 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.609 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.17 -26.21 68.2 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.438 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.61 -36.21 82.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.686 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -64.87 -21.31 66.78 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.862 0.363 . . . . 0.0 110.807 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.48 -20.16 59.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.016 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -59.38 -20.46 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.346 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.88 -27.96 67.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.272 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.78 -37.87 85.92 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.699 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.45 -37.05 84.4 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.674 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.8 mt -81.07 -15.3 56.39 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.822 0.344 . . . . 0.0 110.536 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.46 -37.06 84.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.656 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.7 p -62.35 -21.05 65.0 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.575 0.226 . . . . 0.0 111.287 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--N 1.329 -0.3 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.435 -179.809 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 tptp . . . . . 0 C--O 1.233 0.21 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -61.83 -37.24 83.71 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.606 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.41 -36.52 84.02 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.326 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.3 -14.82 56.93 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.74 0.305 . . . . 0.0 110.811 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.3 -37.4 80.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.428 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -59.9 -25.11 64.84 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.672 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -62.95 -36.45 83.48 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.842 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.79 -20.99 54.93 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.014 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.12 -28.62 69.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.172 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 . . . . . 0 CA--C 1.532 0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.941 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 t -156.71 -167.89 2.52 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 121.21 -0.196 . . . . 0.0 110.542 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -53.62 -16.9 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 110.418 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -59.87 -17.89 40.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.017 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.36 -39.49 90.8 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.308 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.4 mt -64.62 -32.5 74.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.403 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 99.4 m -63.47 -41.75 98.6 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.964 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.0 -21.41 60.0 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.299 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.25 -26.53 67.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.02 -36.63 80.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.776 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -63.36 -36.73 84.68 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.79 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.496 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 7.6 mp -62.62 -37.16 85.2 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.668 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.431 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 96.8 mt-30 -64.3 -36.86 85.5 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.768 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -62.28 -36.76 83.09 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.5 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.96 -36.71 84.39 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.333 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -74.23 -15.85 60.98 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.804 0.335 . . . . 0.0 110.131 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 13' ' ' GLN . 33.3 m120 -91.72 5.86 48.15 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.667 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -62.29 -20.5 64.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.33 -36.53 80.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.615 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.93 -24.43 67.86 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.989 -0.285 . . . . 0.0 111.094 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.77 -39.22 90.89 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.581 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 60.1 mp0 -64.52 -35.37 80.75 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.394 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.44 -23.46 66.89 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.494 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.57 -38.04 86.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.371 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.34 -38.54 89.88 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.384 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.32 -36.0 80.83 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.65 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.441 ' O ' ' OG ' ' A' ' 30' ' ' SER . 59.8 ttp180 -60.85 -38.05 84.2 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.58 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.59 -35.42 80.45 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.54 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -64.35 -28.32 69.62 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 121.039 -0.265 . . . . 0.0 111.267 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 87.5 p -62.88 -23.28 67.26 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.582 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' A' ' 33' ' ' HIS . 98.9 mt-10 -62.92 -36.06 82.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.5 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 64.6 3.21 1.86 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.98 0.419 . . . . 0.0 110.232 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.414 ' H ' ' C ' ' A' ' 31' ' ' GLU . 86.5 t60 -60.57 -47.17 87.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.352 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.11 -37.27 84.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.791 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -67.17 -33.63 75.81 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.23 -26.79 68.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.736 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.47 -25.58 67.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.225 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -61.6 -37.85 85.4 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.95 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -64.05 -34.96 79.2 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.286 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -22.84 66.2 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.447 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.13 -37.71 83.79 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.18 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -62.33 -37.67 86.53 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.179 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -67.59 -22.75 65.35 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.963 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -25.42 66.33 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.719 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.11 -29.67 70.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.275 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.49 -27.72 68.68 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.513 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 54.1 38.71 29.63 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.596 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.48 -37.73 87.11 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.452 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.5 mt 58.07 37.58 26.51 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.604 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.53 -29.07 69.76 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.495 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 52' ' ' TYR . 98.0 m-20 -61.53 -36.92 81.91 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.698 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 94.4 m-85 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 1' ' ' GLY . 3.2 p 73.82 -10.82 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.733 0.302 . . . . 0.0 110.525 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.454 ' H ' ' C ' ' A' ' 1' ' ' GLY . 53.8 t -63.62 -40.05 87.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.378 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.414 ' O ' ' OG1' ' A' ' 7' ' ' THR . 88.6 tt0 -62.65 -38.37 90.03 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.496 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.94 -39.65 92.8 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.476 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.47 -39.03 92.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.401 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 4' ' ' GLU . 42.3 p -70.23 -31.82 69.41 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.898 0.38 . . . . 0.0 110.933 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.46 -18.39 51.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.147 0.498 . . . . 0.0 110.269 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.37 -36.9 81.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.467 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.82 -25.01 67.98 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.651 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -61.94 -37.12 83.53 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.728 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 8.0 mp -62.27 -37.08 84.1 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.455 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.92 -36.91 85.49 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.665 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -62.69 -36.05 81.67 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.675 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.3 -28.04 68.38 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.504 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -66.24 -23.01 66.34 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.458 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.09 -36.56 82.07 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.574 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.01 -37.87 86.49 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.438 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.93 -25.6 67.69 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.37 -25.65 68.04 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.18 -37.79 86.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.375 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.46 -35.85 80.61 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.611 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.58 -26.64 68.09 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.453 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.21 -37.82 86.81 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.43 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.26 -28.95 69.11 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.388 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.82 -38.04 86.69 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.198 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -61.0 -38.19 85.17 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.26 -36.15 82.7 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.467 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -62.03 -36.93 83.07 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.572 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.3 t -61.15 -39.32 89.63 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.604 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.56 -35.62 81.09 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.459 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -85.44 121.12 27.7 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -100.97 -5.99 25.13 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.823 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.534 ' OD1' ' NZ ' ' A' ' 37' ' ' LYS . 57.0 p30 -160.99 151.65 18.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.481 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -102.75 13.1 35.26 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.816 0.341 . . . . 0.0 110.208 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.0 p30 -81.72 1.62 33.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.162 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.534 ' NZ ' ' OD1' ' A' ' 34' ' ' ASP . 63.7 mttp -62.22 -36.8 83.09 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.555 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.42 -36.54 82.69 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.643 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -65.35 -27.97 68.96 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.92 -23.43 67.36 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.41 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.64 -37.34 83.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.254 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -61.44 -38.47 87.29 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.549 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -63.27 -37.35 86.9 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.686 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.424 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -59.75 -22.55 62.24 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.136 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -78.54 -12.5 60.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.86 0.362 . . . . 0.0 110.422 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.52 -37.95 88.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.645 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 44' ' ' ALA . 55.6 p30 -85.16 4.19 35.58 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.74 0.305 . . . . 0.0 110.7 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.37 -38.78 88.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.495 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.8 mt -83.65 -10.98 57.84 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.401 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.25 -26.14 68.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.542 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -84.72 2.6 41.22 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.633 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.1 t80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.493 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.1 p -63.37 -23.75 67.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.745 0.307 . . . . 0.0 110.497 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.34 -39.99 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.311 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.64 -36.82 84.05 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.642 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.06 -39.53 92.71 Favored 'General case' 0 C--O 1.23 0.069 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.423 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.2 tt -65.27 -35.36 80.78 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.9 m -65.64 -40.98 93.1 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.037 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.72 -21.22 62.58 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.047 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -73.44 -17.35 61.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.596 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.62 -35.77 76.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.687 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -58.22 -26.14 62.49 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.982 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.08 -36.29 83.53 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.164 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.35 -35.08 79.71 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.669 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -59.58 -38.05 80.14 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.664 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.27 -34.82 78.5 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.23 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.33 -36.32 79.84 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -95.95 15.31 20.86 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.567 0.222 . . . . 0.0 111.065 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -59.94 -18.52 45.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 0.0 110.372 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.85 -23.13 66.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.36 -26.04 67.56 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 98.7 mt-10 -63.0 -35.86 81.64 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.63 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -67.15 -26.02 66.45 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.147 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.08 80.94 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.896 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 59.9 mp0 -63.04 -36.14 82.58 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.352 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.93 -38.14 87.31 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.422 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.83 -32.6 72.93 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.783 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -59.91 -37.95 80.9 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.615 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.446 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 8.1 mp -62.14 -37.18 84.19 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.522 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -61.45 -38.12 86.06 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.38 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.5 m -61.5 -36.69 81.21 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.66 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.32 -36.72 83.04 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.714 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 48.47 55.44 8.94 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.003 0.43 . . . . 0.0 110.237 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -60.53 -48.21 82.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.564 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -65.07 136.67 57.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.619 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -91.76 -8.07 47.83 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.915 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -86.41 4.46 39.39 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.485 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.42 -38.49 87.34 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.55 -36.5 82.83 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.776 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.55 -36.36 82.39 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.713 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.19 -36.03 78.76 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.668 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.31 -28.14 68.99 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.61 0.243 . . . . 0.0 111.006 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -61.68 -15.78 43.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.001 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -56.43 -19.0 12.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.739 0.304 . . . . 0.0 110.85 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.434 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -60.98 -23.37 65.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.731 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.11 -38.56 89.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.468 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -64.69 -23.43 67.25 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.66 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 44' ' ' ALA . 97.0 m-20 54.55 37.13 27.4 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.435 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 53.86 36.78 25.0 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.456 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.3 tp -63.2 -39.34 94.34 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.42 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.12 22.69 1.08 Allowed 'General case' 0 N--CA 1.461 0.106 0 CA-C-O 120.81 0.338 . . . . 0.0 110.577 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.69 -37.06 82.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.65 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 52.6 p90 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.51 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.5 p -63.39 -24.13 67.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.699 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.49 -40.51 89.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.417 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.09 -36.28 83.06 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.577 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -60.63 -43.45 97.52 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.148 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 9' ' ' ASP . 91.1 mt -62.71 -37.5 86.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.398 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 94.3 m -70.14 -39.19 75.55 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.969 -0.293 . . . . 0.0 111.401 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.53 -14.68 62.18 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.669 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 46.4 p-10 -67.79 -18.39 64.84 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.414 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -61.72 -38.07 86.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.456 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.12 -36.7 85.1 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.736 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.08 -39.23 94.09 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.512 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.09 -37.13 86.33 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.555 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -61.69 -37.8 85.47 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.348 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.06 -39.16 91.45 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.216 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -70.19 -20.77 63.1 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.835 0.35 . . . . 0.0 110.107 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -97.18 8.75 43.9 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.444 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.25 -38.04 87.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.397 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.1 -27.36 68.87 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.431 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.43 -26.77 68.68 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.5 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.06 -38.58 89.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.354 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.31 -36.33 83.32 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.583 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.76 80.55 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.644 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -84.24 -18.62 35.89 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.879 0.371 . . . . 0.0 110.443 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.77 -41.37 97.97 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.399 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -71.28 -19.54 62.33 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.93 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.419 ' O ' ' OG ' ' A' ' 30' ' ' SER . 63.3 ttm-85 -61.78 -38.42 88.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.8 mt -65.26 -32.9 74.8 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.296 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.42 -38.38 83.87 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.513 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 91.5 p -61.77 -34.3 75.62 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.501 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.92 -38.37 90.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.221 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 48.17 66.2 1.12 Allowed 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.422 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.692 ' CG ' ' H ' ' A' ' 34' ' ' ASP . 63.8 t60 -97.08 -135.46 0.24 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.113 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.692 ' H ' ' CG ' ' A' ' 33' ' ' HIS . 58.1 p-10 -157.95 150.22 22.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.706 0.288 . . . . 0.0 110.45 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -96.62 2.05 51.81 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.329 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -64.19 -28.99 70.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.736 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -60.23 -23.61 64.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.799 0.333 . . . . 0.0 110.851 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.83 -27.27 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.355 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.43 -29.71 70.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.408 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.29 -24.38 67.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.71 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.13 -35.93 80.25 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.37 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -61.52 -38.18 86.45 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.411 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.72 -35.86 81.1 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.2 -23.59 56.19 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.86 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.67 -32.59 74.32 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.4 -36.2 79.64 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.126 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.8 t0 62.12 35.6 15.63 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -126.27 7.65 7.14 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.984 0.421 . . . . 0.0 110.169 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.526 ' O ' ' CE2' ' A' ' 52' ' ' TYR . 60.7 tp -63.12 -38.32 90.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.487 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.516 ' O ' ' CD1' ' A' ' 52' ' ' TYR . . . -60.45 -36.73 78.92 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.853 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 67.7 t0 -63.08 -37.18 86.19 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.526 ' CE2' ' O ' ' A' ' 49' ' ' LEU . 60.7 m-85 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.087 -0.959 . . . . 0.0 110.279 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -64.95 -21.36 66.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.75 0.309 . . . . 0.0 110.789 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.44 17.96 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.007 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -61.96 -21.51 64.87 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.672 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.15 -39.61 93.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' O ' ' CG ' ' A' ' 9' ' ' ASP . 94.5 mt -63.96 -35.3 80.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.422 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.7 m -63.27 -37.53 87.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.746 -0.206 . . . . 0.0 111.331 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -19.37 50.3 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.392 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 52.4 p-10 -62.45 -17.58 59.74 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.306 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.514 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -60.85 -36.31 78.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.7 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -63.04 -35.86 81.64 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.551 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.41 -36.38 83.55 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.343 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.88 -36.97 85.68 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.623 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.11 -37.29 82.23 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.515 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.11 -36.17 80.94 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.489 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.06 -38.17 85.23 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.085 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.26 -36.13 81.1 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.445 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -61.56 -37.65 84.6 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.55 79.46 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.495 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.85 -36.55 79.43 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.38 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.74 -36.86 82.22 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.11 -37.74 83.82 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.245 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.64 -36.64 79.16 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.468 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.11 -37.73 86.23 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.306 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.64 -37.47 81.6 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.479 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.91 -36.05 76.17 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.628 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -59.87 -38.6 82.63 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.781 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 8.3 mp -63.64 -36.4 83.72 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.626 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -65.59 -24.46 67.08 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.749 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.6 m -62.32 -37.57 86.08 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.501 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.49 -36.05 82.48 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.498 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.3 mmm-85 -72.34 149.84 44.03 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 57.67 34.28 24.29 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.489 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -89.23 107.08 18.85 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.919 0.39 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -99.58 7.83 44.94 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.227 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 53.96 34.58 19.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.615 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -65.15 -35.21 80.38 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.378 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -63.02 -36.45 83.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.548 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.35 -35.17 79.51 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.927 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.38 -22.74 66.37 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.174 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.69 -36.29 80.48 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.757 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -63.15 -36.25 82.99 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.726 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -66.35 -21.74 66.25 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.646 0.26 . . . . 0.0 110.87 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.444 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -60.77 -24.71 65.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.801 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.18 -38.2 88.16 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.413 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.61 -27.98 69.58 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.862 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 44' ' ' ALA . 97.6 m-20 54.93 37.33 28.58 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.49 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.0 mttp 54.38 38.19 29.04 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.663 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.3 mt 56.23 29.78 15.44 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.279 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.63 -33.97 74.85 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.808 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.54 -36.45 78.45 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.724 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.506 ' OXT' ' CD1' ' A' ' 52' ' ' TYR . 55.2 p90 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.615 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.511 ' C ' ' H ' ' A' ' 4' ' ' GLU . 86.4 p -70.28 -18.46 63.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.809 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.2 t 61.93 -0.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.422 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' A' ' 2' ' ' SER . 88.6 tt0 -62.57 -38.78 91.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.729 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.01 -44.39 97.49 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.049 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.23 -33.69 76.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.564 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 99.9 m -63.36 -41.4 98.83 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.097 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.47 -18.59 51.71 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.946 0.403 . . . . 0.0 110.297 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.41 -36.27 83.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.751 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.17 -26.07 68.64 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.281 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.55 -27.5 68.49 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.984 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.497 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 7.7 mp -63.01 -23.1 67.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.656 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -55.58 -20.9 14.95 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.232 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.6 -38.04 86.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.476 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.52 -28.13 68.31 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.278 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -61.22 -37.81 84.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -61.97 -36.82 82.58 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.626 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -63.69 -35.28 80.03 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.623 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.41 -24.2 67.27 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.507 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.15 -24.54 67.23 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.324 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.04 -37.61 85.59 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.415 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.12 -35.73 79.6 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.959 -0.297 . . . . 0.0 110.638 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.35 -25.83 67.41 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.462 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.33 -38.17 88.45 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.25 -34.88 79.13 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.604 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.1 -27.43 69.09 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.9 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.446 ' O ' ' OG ' ' A' ' 30' ' ' SER . 77.4 mtp85 -62.49 -35.87 80.72 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.695 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.15 -39.13 91.57 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.414 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.79 -29.54 69.52 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 121.165 -0.214 . . . . 0.0 111.43 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 97.0 p -63.95 -21.58 66.54 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.117 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.33 -36.7 83.02 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.604 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 55.14 83.42 0.09 Allowed 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.635 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -156.97 170.61 22.12 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.409 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -129.37 25.23 5.47 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.731 0.301 . . . . 0.0 110.503 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -89.12 -0.66 57.62 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.727 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.73 -37.52 84.52 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.669 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -65.34 -14.96 62.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.77 0.319 . . . . 0.0 111.254 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.33 -36.1 75.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.444 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -58.6 -19.24 36.83 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.419 -0.513 . . . . 0.0 110.521 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.56 -24.34 67.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.169 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.68 -34.61 77.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.7 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 -60.55 -37.76 82.3 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.738 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -68.32 -22.89 64.68 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.191 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.83 -28.94 69.18 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.011 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.494 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 7.8 mp -62.67 -37.07 84.98 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.976 -0.289 . . . . 0.0 110.715 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.46 -36.5 82.64 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.663 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.74 -36.61 81.5 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.598 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.63 -38.81 89.02 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.465 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.3 mt -82.32 -12.04 58.24 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.774 0.321 . . . . 0.0 110.526 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.99 -24.19 67.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.497 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.527 ' OD1' ' CD1' ' A' ' 52' ' ' TYR . 45.9 p-10 -62.46 -36.93 83.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.951 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CD1' ' OD1' ' A' ' 51' ' ' ASP . 92.9 m-85 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.444 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -73.3 -11.21 60.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.935 0.398 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.2 -39.46 85.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.337 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -63.06 -21.84 66.44 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.534 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -61.98 -39.36 91.9 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.191 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.96 -36.07 82.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.569 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.1 m -63.6 -40.03 95.88 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.67 -22.01 66.87 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.906 0.384 . . . . 0.0 110.119 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 63.9 t0 -62.5 -35.94 80.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.401 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.24 81.04 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.66 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.29 -38.0 87.66 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.023 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.79 -35.38 80.92 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.319 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -63.02 -36.94 85.23 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.668 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.421 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 89.6 mmt-85 -66.19 -25.73 67.07 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.028 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.4 mt -76.26 -16.0 59.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.392 . . . . 0.0 110.155 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -61.1 -37.93 84.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.54 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 53.5 p30 -82.39 3.59 27.36 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.745 0.307 . . . . 0.0 110.809 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.03 -37.65 85.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.009 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.24 -26.79 67.98 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.77 -24.13 67.57 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.118 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.92 -37.88 86.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.006 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.08 -35.99 80.34 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.409 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.5 77.44 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.451 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -64.53 -18.64 65.01 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.798 0.333 . . . . 0.0 111.128 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.7 tp -58.21 -35.45 71.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.475 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -56.79 -18.61 13.41 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.646 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -62.52 -36.87 83.96 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.54 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.3 mt -82.55 -14.71 54.43 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.787 0.327 . . . . 0.0 110.544 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.512 ' CE ' ' HE2' ' A' ' 35' ' ' HIS . 88.1 tttt -61.26 -38.0 85.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.475 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.8 p -61.57 -33.52 74.01 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.33 -38.53 91.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.587 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 29' ' ' LYS . 80.1 ttt180 -137.53 131.15 31.34 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.775 0.321 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.53 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 97.6 m-70 -62.35 -41.31 98.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.417 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 52.8 t0 51.96 32.85 10.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.105 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 33' ' ' HIS . 96.3 m-70 -117.01 15.8 15.08 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.831 0.348 . . . . 0.0 110.278 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -86.59 2.58 47.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.621 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -85.72 -15.31 42.61 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.802 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -61.98 -22.57 65.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.055 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -63.35 -22.2 66.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.339 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.05 -22.8 67.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.347 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.07 -36.68 82.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.59 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.14 -37.98 89.37 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.441 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -70.28 -33.51 71.66 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.34 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.07 79.89 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -177.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 pp -72.0 -27.13 62.54 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.209 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -67.96 -28.92 67.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.282 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -82.42 -6.35 59.23 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 65.0 tttp -60.55 -38.85 85.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.451 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.78 -17.08 36.79 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-O 120.824 0.345 . . . . 0.0 110.104 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.52 -28.08 69.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.659 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 48' ' ' LYS . 55.5 p30 -83.49 2.1 38.53 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.773 0.321 . . . . 0.0 110.569 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.1 t80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.581 179.858 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.9 p -81.79 -8.4 59.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.746 0.307 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.27 -41.17 90.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.097 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.438 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 24.7 pt-20 -66.19 -18.55 65.42 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.671 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.438 ' NZ ' ' OE2' ' A' ' 4' ' ' GLU . 45.7 mmtm -81.06 -166.13 1.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.122 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.6 mt 58.28 20.63 7.38 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.964 0.411 . . . . 0.0 110.288 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.2 m -66.87 -40.72 87.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.258 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.71 -21.73 62.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.94 0.4 . . . . 0.0 110.157 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.8 -24.22 64.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.519 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.8 -37.08 80.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.558 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.74 -36.69 84.72 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.467 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.57 -34.89 79.31 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.265 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.11 -36.15 82.63 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.746 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.433 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 83.3 mtp180 -62.7 -35.04 78.41 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.604 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.5 -24.16 65.55 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.05 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.88 -24.52 67.56 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.254 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 53.2 p30 -78.33 -1.44 33.22 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.983 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -67.17 -26.93 66.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.508 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.6 -23.69 67.17 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.488 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.92 -24.84 67.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.315 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -62.21 -36.19 81.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.514 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.25 -36.08 80.92 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.595 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.62 79.93 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.477 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.42 -35.88 80.63 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.54 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.73 -28.93 69.41 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.235 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.84 -38.01 86.63 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.462 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -63.08 -35.74 81.27 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.475 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.66 -29.32 69.86 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.632 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.48 -34.39 76.75 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.798 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.9 p -60.43 -29.43 69.0 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.783 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.42 -36.22 83.02 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.294 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 55.37 41.77 30.78 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.8 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.07 -47.48 85.71 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.725 -0.39 . . . . 0.0 109.968 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -62.99 142.14 58.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.087 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.619 ' ND1' ' N ' ' A' ' 36' ' ' ASP . 63.4 t-80 -156.0 172.86 17.67 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.328 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.619 ' N ' ' ND1' ' A' ' 35' ' ' HIS . 37.3 t0 54.78 33.54 19.88 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.411 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.61 -38.26 90.39 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.641 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -60.95 -38.6 86.46 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.464 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' OE1' ' OD2' ' A' ' 36' ' ' ASP . 98.6 mt-10 -65.63 -34.36 78.03 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.676 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.42 -16.41 54.86 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 110.652 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.11 -34.81 72.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.284 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -57.2 -24.55 55.25 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.838 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.97 -22.18 64.12 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.918 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.423 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -61.33 -22.61 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.675 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -75.66 -13.17 60.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.38 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.88 -27.28 68.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.711 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 44' ' ' ALA . 55.1 p30 -83.35 1.79 39.51 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.731 0.301 . . . . 0.0 110.602 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -61.29 -39.31 89.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.195 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.94 -35.82 81.94 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.47 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 62.51 29.58 17.07 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.539 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.413 ' O ' ' OXT' ' A' ' 52' ' ' TYR . 56.5 p30 -87.7 4.1 45.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.517 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.413 ' OXT' ' O ' ' A' ' 51' ' ' ASP . 98.1 m-85 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.729 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -62.38 -37.39 85.57 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.192 -0.203 . . . . 0.0 110.805 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -132.66 -0.02 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-O 120.776 0.322 . . . . 0.0 110.507 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.38 -30.12 70.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.659 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -61.81 -39.73 92.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.737 0.303 . . . . 0.0 110.454 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.81 -39.09 93.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.424 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.7 p -70.75 -26.36 63.33 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.778 0.323 . . . . 0.0 111.209 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -18.16 41.2 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.679 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 59.1 p30 -66.33 -17.66 64.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.489 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.518 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -61.31 -36.57 80.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.757 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.06 -36.58 84.04 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.704 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.69 -36.54 84.19 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.541 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.15 -37.11 86.26 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.808 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.64 -36.74 83.79 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.652 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.11 -38.71 89.95 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.139 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -70.16 -19.96 63.17 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.938 0.399 . . . . 0.0 109.961 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -90.96 1.79 56.76 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.543 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.32 -38.08 88.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.404 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.47 80.32 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.615 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.03 -30.43 70.3 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.483 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.9 -38.07 87.01 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.52 -35.79 80.53 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.759 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.66 79.49 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.26 -36.23 81.4 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.643 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.34 -35.41 80.3 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.504 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.39 -24.99 67.83 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.797 0.332 . . . . 0.0 110.628 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -61.1 -38.08 85.03 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.95 -28.68 68.48 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.485 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.01 -38.36 85.81 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.491 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.4 p -61.69 -34.95 76.67 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.843 0.354 . . . . 0.0 110.493 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.28 -36.18 82.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.733 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 54.97 40.9 32.21 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.887 0.375 . . . . 0.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -60.43 -46.68 89.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.657 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -88.95 105.77 17.98 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.717 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -142.4 -21.96 0.68 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.573 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.19 -35.93 80.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -61.3 -34.4 75.16 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.59 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.34 -36.69 82.98 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.668 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.65 -35.68 80.4 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.955 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.17 -23.8 66.81 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.728 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.86 -26.06 67.11 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.709 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -62.19 -15.59 47.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -56.04 -18.15 8.78 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.321 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.41 76.66 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.138 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.495 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 3.2 mm? -63.13 -35.58 80.76 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.511 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -61.92 -35.33 78.06 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.792 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 49' ' ' LEU . 98.1 m-20 -61.02 -36.49 79.66 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.664 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' NZ ' ' OD2' ' A' ' 51' ' ' ASP . 12.1 tptp 76.38 -15.98 0.66 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.876 0.369 . . . . 0.0 110.277 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' A' ' 47' ' ' ASP . 96.5 mt -64.71 -34.62 78.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.747 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.31 -25.83 67.39 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.971 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.427 ' OD2' ' NZ ' ' A' ' 48' ' ' LYS . 98.2 m-20 -61.24 -36.92 81.28 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.565 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 93.7 t80 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.484 179.883 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.526 -1.429 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.2 p -63.61 -23.45 67.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.64 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -58.48 -31.2 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.517 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.77 -37.72 87.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -68.96 -163.04 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.582 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 9' ' ' ASP . 88.1 mt -86.3 1.6 50.38 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-O 120.801 0.334 . . . . 0.0 110.564 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.5 m -61.87 -37.51 84.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.292 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.444 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -59.92 -19.05 49.58 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.581 -178.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 51.5 p-10 -65.05 -18.52 65.37 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.959 -0.697 . . . . 0.0 110.508 -179.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -62.12 -38.73 90.03 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.065 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 8' ' ' ALA . 60.0 mp0 -64.32 -36.43 84.11 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.701 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.487 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 7.7 mp -62.75 -36.69 83.86 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.622 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.84 -37.09 86.08 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.652 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.8 ttp-105 -61.32 -38.66 87.67 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.774 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.71 -39.56 94.42 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -68.49 -23.67 64.59 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.341 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -96.12 20.55 10.05 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.437 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -63.82 -19.3 64.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.55 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.11 -36.45 79.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.88 -26.58 68.24 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.491 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -38.13 87.66 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.373 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.58 -37.75 87.4 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.373 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.29 79.3 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.512 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.15 -36.24 81.23 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.599 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.02 -38.6 89.27 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.404 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.22 -36.17 81.16 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.744 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -60.94 -37.74 83.39 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.553 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.99 -38.82 90.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.402 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.0 -36.37 81.33 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.657 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.3 t -61.06 -38.94 87.99 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.744 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.12 -35.79 79.8 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.708 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.42 ' NH2' ' OE2' ' A' ' 41' ' ' GLU . 99.5 mtt180 55.51 36.65 27.58 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.953 0.406 . . . . 0.0 110.413 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -60.89 -46.04 92.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.766 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.8 139.35 57.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -62.18 -38.0 87.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.253 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.25 -36.5 77.92 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.943 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.22 -34.07 75.77 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.141 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -67.51 -23.75 65.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.559 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.81 -37.07 83.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.565 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.15 -34.84 74.11 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.519 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' OE2' ' NH2' ' A' ' 32' ' ' ARG . 98.9 mt-10 -61.2 -34.51 75.2 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.34 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -61.02 -39.41 89.64 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.614 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.43 -37.67 88.19 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.79 -24.28 63.98 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.198 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.7 mt -76.54 -14.34 60.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.759 0.314 . . . . 0.0 110.326 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.17 -37.91 87.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.483 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.62 -36.3 80.33 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.705 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 54.91 38.08 29.78 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.58 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.53 6.0 18.96 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.848 0.356 . . . . 0.0 110.312 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.22 -37.15 82.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.743 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -84.77 2.74 40.82 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 120.852 0.358 . . . . 0.0 110.548 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 90.8 t80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.478 179.904 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 m -62.44 -37.58 86.42 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.55 -40.15 87.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.441 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.63 -37.22 85.48 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.802 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -62.35 -39.71 94.01 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.612 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.1 mt -85.32 -11.26 55.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.648 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.5 m -65.61 -40.93 93.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.61 -17.96 52.66 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.839 0.352 . . . . 0.0 110.069 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -65.5 -27.58 68.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.527 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.24 -36.26 79.49 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.733 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.84 -37.17 85.76 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.806 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 7.7 mp -62.91 -36.85 84.74 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.591 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.91 -37.18 86.46 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.665 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -60.83 -38.78 86.64 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.471 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.78 -35.95 81.51 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.503 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.83 -38.3 84.98 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.415 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.46 -36.19 79.73 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.479 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.26 -34.7 78.23 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.61 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.91 -23.82 66.57 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.453 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.02 -25.53 67.71 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.246 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.21 -37.83 86.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.421 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.45 -34.4 76.72 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.645 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.66 -33.54 72.97 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.753 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.69 -21.57 64.57 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.699 0.285 . . . . 0.0 110.818 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.87 -19.3 64.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.652 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -57.76 -18.83 23.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.447 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -62.15 -36.28 81.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.78 -35.3 80.14 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.423 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 32' ' ' ARG . 98.8 mttt -64.67 -26.3 68.32 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.024 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.5 m -62.52 -26.15 68.4 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.694 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.03 -36.53 81.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.129 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' A' ' 29' ' ' LYS . 99.8 mtt180 -129.26 147.08 51.06 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.821 0.343 . . . . 0.0 110.748 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -101.27 7.65 42.82 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.323 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.29 141.35 58.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.501 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -99.5 7.97 44.91 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.902 0.382 . . . . 0.0 110.176 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.24 -35.5 79.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.646 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -64.41 -25.56 68.07 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.728 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -60.94 -39.18 88.5 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.314 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.21 -28.47 69.4 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.74 0.305 . . . . 0.0 110.844 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.79 -25.46 67.5 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.734 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.25 -35.49 79.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.605 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -61.42 -38.3 86.65 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.647 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.9 -23.46 65.11 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.614 0.245 . . . . 0.0 111.081 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.39 -24.62 66.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.84 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.7 mt -79.32 -11.87 59.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.347 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.31 -38.3 88.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.479 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 47' ' ' ASP . 67.1 t0 -61.75 -37.59 84.82 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.583 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.4 tttp 49.87 30.65 4.04 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 110.182 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.6 tp -62.56 -39.44 93.67 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.452 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 50.87 26.36 2.59 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.85 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 52.25 39.82 27.81 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.596 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.303 -179.763 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 5' ' ' LYS . 47.9 t -61.7 -38.9 89.57 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.167 -0.213 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.6 p -52.33 -24.55 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.21 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.34 -37.24 84.88 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.363 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 2' ' ' SER . 62.4 pttt -157.15 175.61 13.83 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.945 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.7 mt 50.53 26.03 2.22 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.507 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -135.2 -64.18 0.66 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.382 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.17 -17.72 62.69 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.76 -36.24 80.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.582 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.06 80.78 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.603 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.43 -36.76 84.8 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.429 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.35 -28.53 67.21 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.245 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -61.73 -37.44 84.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.536 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -61.14 -37.99 84.83 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.376 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.9 -35.07 79.47 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.457 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.4 -29.71 70.96 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.824 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -61.79 -36.62 81.62 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.695 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.34 -37.59 86.24 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.416 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.56 -24.15 67.38 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.666 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.32 -23.89 67.02 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.511 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.19 -36.28 81.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.619 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.18 -37.58 85.8 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.418 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.5 77.15 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.567 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.22 -27.86 69.35 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.599 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.92 -38.76 89.6 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.425 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.77 -38.48 88.19 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.288 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.415 ' O ' ' OG ' ' A' ' 30' ' ' SER . 44.0 ttm180 -61.89 -38.27 87.71 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.697 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.24 -36.95 85.35 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.652 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.92 -38.38 88.18 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.947 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 94.6 p -63.04 -24.39 67.89 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.811 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.03 -38.01 89.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.53 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.27 -39.34 92.59 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.568 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -62.54 -39.87 94.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.445 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.58 140.21 58.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.375 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -145.83 22.87 1.41 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.526 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -86.0 3.15 43.47 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.607 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.65 -36.99 84.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.739 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.61 -38.62 88.27 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.532 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.22 -30.35 71.23 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.565 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.37 -25.74 68.08 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.526 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.43 -28.25 69.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.582 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -68.36 -23.9 64.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.788 0.328 . . . . 0.0 110.193 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -72.6 -18.29 61.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.44 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.97 -24.13 66.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.506 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.0 -26.98 67.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.371 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.63 -38.2 86.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.578 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.46 -36.79 81.41 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.531 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 65.0 tttp -61.58 -37.83 85.32 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.39 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.23 -34.69 75.53 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.56 0.219 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.13 -22.95 61.69 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 52' ' ' TYR . 58.0 p-10 -61.73 -24.13 66.6 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.522 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.539 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 72.0 m-85 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.436 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -61.57 -39.29 90.59 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.32 -40.66 89.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.424 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.24 -36.29 83.16 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.598 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.77 -38.91 89.77 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.844 0.354 . . . . 0.0 110.495 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.446 ' O ' ' CG ' ' A' ' 9' ' ' ASP . 94.7 mt -62.15 -37.16 84.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.568 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.6 m -69.67 -39.14 77.19 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.414 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.01 -14.89 62.5 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.644 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 44.5 p-10 -67.47 -17.51 64.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.475 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.509 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -60.95 -37.99 84.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.18 -36.85 85.5 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.476 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.69 -35.51 81.29 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.175 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.59 -35.83 81.79 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.467 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -60.62 -38.0 83.3 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.43 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.96 -39.33 91.77 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.629 -0.428 . . . . 0.0 109.959 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.9 -37.73 85.69 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.368 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 64.0 t-20 -60.46 -36.82 79.18 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.652 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -62.03 -36.7 82.35 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.345 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.62 -23.28 66.98 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.554 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.61 -26.35 67.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.469 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.414 ' OE2' ' OE1' ' A' ' 24' ' ' GLU . 52.8 tp10 -61.71 -38.31 87.41 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.45 -34.79 78.52 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.569 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.53 -27.07 68.34 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.005 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.414 ' OE1' ' OE2' ' A' ' 21' ' ' GLU . 98.8 mt-10 -62.18 -36.24 81.29 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.547 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' CD1' ' N ' ' A' ' 25' ' ' LEU . 7.9 mp -62.48 -36.15 81.57 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.487 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.47 -37.6 84.2 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -61.98 -36.35 81.2 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.582 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.48 -29.5 70.17 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.319 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.14 -38.39 86.24 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.618 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.8 t -61.22 -38.94 88.4 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.617 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.25 -35.04 77.74 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.758 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 56.48 41.32 28.91 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.903 0.382 . . . . 0.0 110.476 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -60.27 -46.33 90.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.347 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -158.32 161.9 37.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.697 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -70.22 -22.06 62.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.386 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 56.0 39.73 30.47 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.034 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.57 -38.0 88.38 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.353 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.03 -36.82 82.73 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.891 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.21 -29.24 70.03 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.703 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.46 -18.69 65.51 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.692 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -62.89 -19.2 63.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.245 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -58.68 -23.74 59.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.455 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -68.81 -21.89 64.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.975 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -24.4 65.55 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.742 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.59 -32.23 73.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.122 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.77 -36.2 80.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.935 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.18 -37.08 81.67 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.65 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -62.48 -36.66 83.2 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.459 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.37 -35.73 81.37 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.38 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 61.33 29.37 18.56 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 110.656 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 67.5 t0 -62.24 -37.74 86.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.623 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 88.7 t80 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.411 -179.934 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.471 -1.451 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 m 55.26 31.39 16.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.688 0.28 . . . . 0.0 110.631 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.57 -40.11 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -65.09 -21.43 66.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.699 0.285 . . . . 0.0 110.938 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -85.69 -167.8 1.98 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.234 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 mt 56.85 27.85 13.59 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.948 0.404 . . . . 0.0 110.173 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.1 m -67.24 -40.09 86.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.322 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.31 -23.06 66.91 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.477 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.44 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 97.7 m-20 -63.19 -36.65 84.35 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.773 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.21 -25.56 67.87 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.94 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.14 -38.28 88.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.06 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 8.0 mp -62.45 -38.96 91.81 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.173 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 9' ' ' ASP . 26.2 mp0 -70.49 -24.84 62.92 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.705 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -60.58 -37.71 82.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.488 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 8.0 mp -61.92 -37.68 85.59 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.504 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.82 -36.86 84.59 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.45 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.36 -36.79 83.35 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.585 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.39 -38.4 89.48 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.52 -23.0 67.13 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.455 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.07 -17.63 34.59 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.805 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.1 -38.3 90.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.749 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -68.98 -19.15 64.14 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.921 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.64 81.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.672 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -62.03 -39.2 91.51 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.106 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.94 -39.09 93.36 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.323 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.24 -36.67 84.42 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.5 mmm-85 -63.17 -36.73 84.59 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.397 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.4 mt -82.28 -15.13 54.08 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.774 0.321 . . . . 0.0 110.454 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.662 ' HZ3' ' NZ ' ' A' ' 37' ' ' LYS . 64.6 tttm -61.59 -38.33 87.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.466 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.4 p -61.6 -34.75 76.18 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.476 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.23 -36.73 84.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.586 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 54.54 37.37 27.81 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 110.357 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -60.85 -46.59 89.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.848 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.443 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 56.6 p-10 -75.69 143.48 42.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.999 0.428 . . . . 0.0 111.169 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -80.82 -5.54 57.38 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.535 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.5 t0 -59.81 -35.81 75.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.995 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.662 ' NZ ' ' HZ3' ' A' ' 29' ' ' LYS . 88.1 tttt -59.66 -36.22 75.99 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.987 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.36 -36.78 83.32 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.631 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.22 -21.66 66.31 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.77 0.319 . . . . 0.0 110.8 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.19 -19.48 61.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -58.9 -19.93 46.83 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.487 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -61.62 -37.8 85.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.493 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -68.39 -22.9 64.62 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.662 0.268 . . . . 0.0 111.006 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -25.95 67.3 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.863 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.523 ' CD2' ' N ' ' A' ' 45' ' ' LEU . 3.0 mm? -63.13 -37.05 85.69 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.567 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -63.2 -35.86 81.72 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.553 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.65 -36.6 81.27 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.02 -37.71 85.9 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.785 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.6 mt -76.02 -18.25 59.34 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.835 0.35 . . . . 0.0 110.164 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 58.65 29.0 17.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.474 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -88.16 4.47 45.43 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.53 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.662 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t -61.58 -39.49 91.35 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.82 -40.56 89.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.607 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.04 -36.47 84.09 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.078 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -62.27 -39.15 91.95 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.202 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.1 mt 55.9 30.73 16.49 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.828 0.347 . . . . 0.0 110.222 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.3 m -64.71 -40.38 95.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.46 -18.95 62.28 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.901 0.381 . . . . 0.0 110.204 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 64.9 t0 -62.13 -36.44 81.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.638 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.23 -29.99 70.17 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.503 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.87 -37.66 85.35 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.561 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.12 -36.63 84.25 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.394 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.79 -36.22 83.16 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.581 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -64.07 -28.81 70.04 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.671 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.65 -27.46 68.39 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.437 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.25 -25.95 68.28 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.422 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -61.86 -36.52 81.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.548 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.43 -37.51 86.12 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.362 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.84 -25.31 67.45 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.467 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.46 -24.59 67.53 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.3 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.02 -37.63 85.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.398 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.16 -35.85 80.07 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.679 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -27.0 68.3 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.391 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.99 -37.44 84.83 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.265 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.26 -34.19 77.14 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.569 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.59 -26.84 68.87 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.969 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.434 ' O ' ' OG ' ' A' ' 30' ' ' SER . 99.5 mtt180 -62.17 -36.27 81.34 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.567 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.22 -38.61 89.86 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.296 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -61.41 -39.09 89.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.699 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 93.9 p -62.92 -33.8 76.09 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.583 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 33' ' ' HIS . 98.9 mt-10 -63.0 -36.19 82.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.712 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 58.55 -76.61 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.712 0.291 . . . . 0.0 110.625 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 31' ' ' GLU . 64.7 t-80 -93.35 -105.24 0.13 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.457 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' N ' ' ND1' ' A' ' 33' ' ' HIS . 53.5 t0 50.59 46.42 25.61 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.891 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -101.08 7.88 43.13 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.484 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.0 t0 -62.28 -36.59 82.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.55 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.72 -33.98 74.98 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.349 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.1 -36.83 82.89 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.678 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.83 -35.96 81.65 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.6 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.28 -19.87 65.7 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.7 0.286 . . . . 0.0 110.785 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.21 -37.52 80.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.721 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -62.44 -36.33 82.07 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.529 ' CD ' ' N ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -66.12 -23.02 66.42 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.729 0.299 . . . . 0.0 110.838 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.432 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -60.74 -23.05 64.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.732 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.6 mt -64.76 -31.72 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.585 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.62 -36.32 80.41 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.847 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 44' ' ' ALA . 97.1 m-20 54.01 37.84 27.64 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.506 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.36 -38.38 86.78 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.758 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.64 -28.49 69.15 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.564 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.73 -25.92 67.73 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.542 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 52' ' ' TYR . 98.3 m-20 -61.66 -36.9 82.14 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.503 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.519 ' CG ' ' OXT' ' A' ' 52' ' ' TYR . 93.1 t80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.422 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 m 55.13 32.23 17.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 110.637 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.39 -40.45 89.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.624 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.69 -37.59 87.93 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.911 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.1 -39.57 95.08 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.414 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.74 -36.27 83.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.7 m -63.93 -41.2 97.7 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.88 -21.36 62.41 Favored 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -77.45 -16.64 58.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.612 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.39 -36.59 78.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.516 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -60.18 -25.38 65.52 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.753 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -80.26 -16.61 54.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.26 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.77 -37.21 85.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.656 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -62.68 -36.39 82.76 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.746 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.86 -39.0 90.34 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.403 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.5 -38.41 87.22 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.348 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.12 -36.57 82.16 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.637 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.28 -34.65 78.15 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.484 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.9 -23.4 66.3 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.609 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.26 -27.2 68.29 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.484 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.12 -35.29 79.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.489 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.49 -35.1 78.28 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.752 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.26 -26.93 68.1 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.766 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.54 -25.72 67.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.766 0.317 . . . . 0.0 110.459 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.92 -26.03 66.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.325 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.07 -36.13 80.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.964 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -62.11 -36.74 82.65 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.678 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.489 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 7.7 mp -63.42 -36.21 82.98 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.462 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.76 -29.65 69.53 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.029 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.2 m -58.56 -16.21 14.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.592 0.234 . . . . 0.0 111.023 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -59.91 -18.71 46.98 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.679 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.4 ptt-85 -55.58 135.07 51.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.956 0.408 . . . . 0.0 110.518 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.519 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 56.0 p-80 -92.09 -12.94 31.65 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.086 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.91 -37.75 88.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.665 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.519 ' ND1' ' O ' ' A' ' 33' ' ' HIS . 77.2 m80 55.23 31.65 16.95 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.204 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -93.06 -3.41 54.32 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.78 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -88.73 -11.65 44.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.857 0.36 . . . . 0.0 110.329 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -61.45 -23.36 65.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.217 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.63 -35.8 80.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.509 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.34 -21.96 66.58 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.703 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.01 -37.04 81.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.423 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -60.61 -38.13 83.7 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -62.18 -36.74 82.81 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.87 -14.86 10.14 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.858 0.361 . . . . 0.0 111.056 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.9 tp -57.92 -37.36 73.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -61.5 -7.54 3.28 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.362 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.6 t0 56.97 39.75 29.2 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 53.89 37.38 26.43 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.686 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.4 mt 55.8 28.35 12.21 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.495 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.39 -21.4 66.62 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.513 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' TYR . 55.8 p30 -85.17 7.79 20.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.717 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 51' ' ' ASP . 52.2 p90 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.992 -1.004 . . . . 0.0 111.152 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p -66.02 -20.77 66.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.416 . . . . 0.0 110.203 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.6 m 34.01 35.32 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.139 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.416 ' O ' ' OG1' ' A' ' 7' ' ' THR . 97.9 mt-10 -62.86 -36.65 83.96 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.685 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.42 -44.49 95.72 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.147 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 tp -62.95 -38.61 91.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.348 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 4' ' ' GLU . 46.2 p -69.55 -31.19 69.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.85 0.357 . . . . 0.0 111.127 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.72 -18.46 54.52 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.264 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.37 -35.03 76.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.722 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.22 -37.29 79.85 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.783 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.59 -36.7 84.68 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.582 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.4 -35.26 80.32 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.06 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -63.77 -35.05 79.31 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.009 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.6 mmm-85 -60.59 -36.42 78.49 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.442 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.6 tp -61.47 -38.89 88.88 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.553 -0.459 . . . . 0.0 109.99 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.52 -38.09 86.13 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.338 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 63.4 t-20 -60.28 -37.26 79.93 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.462 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.06 -35.46 80.31 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.422 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.47 -24.21 67.33 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.482 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.22 -24.74 67.4 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.333 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.37 -36.02 80.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.49 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.39 -37.45 85.79 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.468 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.42 -27.83 68.82 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.432 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.3 -37.89 87.27 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.371 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.81 -36.1 82.06 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.392 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.86 -38.17 87.26 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.458 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' O ' ' OG ' ' A' ' 30' ' ' SER . 95.3 mtt-85 -62.8 -36.74 84.13 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.539 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.51 -39.07 92.32 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.475 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.51 -38.52 87.67 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.113 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.503 ' O ' ' CE1' ' A' ' 33' ' ' HIS . 91.9 p -61.78 -33.67 74.51 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.61 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.5 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 98.9 mt-10 -62.94 -36.48 83.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.676 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -69.38 130.96 44.01 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.251 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.503 ' CE1' ' O ' ' A' ' 30' ' ' SER . 97.7 m-70 -137.35 167.46 21.55 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.184 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -75.14 -11.9 60.19 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.457 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -100.14 9.87 42.14 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.645 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 54.6 p-10 -85.17 5.1 31.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.939 0.4 . . . . 0.0 110.708 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -61.63 -38.23 86.88 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.354 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.61 -38.72 88.66 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.609 -0.437 . . . . 0.0 111.441 -178.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 58.9 mp0 -67.47 -29.16 68.54 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.292 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.87 -24.46 67.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.408 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.12 -36.08 80.69 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.39 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -63.02 -36.6 84.1 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.699 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.42 -37.14 84.7 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.578 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.68 -22.96 62.68 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.203 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.9 mt -63.36 -35.24 79.75 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.393 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -64.15 -24.84 67.83 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.762 0.315 . . . . 0.0 110.358 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 47' ' ' ASP . 67.2 t0 -60.6 -37.16 80.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.464 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -72.57 148.77 44.61 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.1 mp 54.01 23.66 4.17 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 118.486 0.584 . . . . 0.0 109.909 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.56 -33.42 73.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.656 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.96 -37.26 79.08 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.929 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 93.4 t80 . . . . . 0 C--O 1.221 -0.4 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.561 179.843 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.379 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p -81.84 -8.47 59.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.798 0.332 . . . . 0.0 110.708 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.69 -40.0 86.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.241 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -64.07 -19.87 65.54 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.166 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -60.79 -43.83 97.59 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.634 -0.426 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.61 -29.69 69.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.438 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.7 m -64.64 -41.4 96.17 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.96 -19.19 52.31 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.926 0.393 . . . . 0.0 110.129 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.07 -36.55 83.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.552 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.48 -28.15 69.63 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.645 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -70.07 -24.37 63.23 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.691 0.282 . . . . 0.0 110.84 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.2 -16.4 63.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.709 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -52.35 -21.02 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.506 -179.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -61.29 -38.36 86.51 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.425 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.87 -35.34 80.31 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.256 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.0 -25.37 68.1 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.507 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -61.17 -36.34 79.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.36 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.47 -37.45 85.98 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.425 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.71 -25.5 67.46 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.555 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.97 -35.56 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.239 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.06 -35.75 79.58 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.41 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.63 -37.6 84.56 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.204 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.05 -34.95 75.68 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.503 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -63.95 -24.84 67.88 Favored 'General case' 0 C--N 1.334 -0.078 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.32 -35.26 76.89 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.485 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.427 ' C ' ' N ' ' A' ' 28' ' ' LEU . 80.7 mm-40 -59.9 -17.97 41.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.14 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.426 ' O ' ' OG ' ' A' ' 30' ' ' SER . 15.5 ptm180 -48.62 -17.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.033 0.444 . . . . 0.0 110.544 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 26' ' ' GLU . 59.6 tp -58.71 -36.48 74.32 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.281 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -57.51 -26.22 61.01 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.098 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 95.4 p -63.23 -22.81 67.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.898 0.38 . . . . 0.0 110.235 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.4 -37.19 84.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.406 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 56.8 38.89 29.78 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 110.534 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -60.56 -46.54 89.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.418 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -158.24 169.09 25.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.536 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 57.69 36.68 26.87 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.574 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.72 -35.49 78.21 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -59.7 -36.78 77.2 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.111 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.26 -38.29 86.16 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.02 -29.29 70.19 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.557 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.95 -24.21 67.77 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.624 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.87 -35.22 79.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.474 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -62.58 -36.4 82.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.75 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -67.06 -23.06 65.84 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.699 0.285 . . . . 0.0 111.07 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.13 65.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.719 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.2 mt -66.19 -29.06 69.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.349 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.93 -38.03 86.91 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.263 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.52 -36.76 81.46 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.649 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.67 -38.64 88.5 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.379 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.4 mt -81.75 -10.9 59.24 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.894 0.378 . . . . 0.0 110.301 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.06 -4.85 59.26 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.734 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.528 ' OD1' ' CD1' ' A' ' 52' ' ' TYR . 55.4 p30 -82.7 0.84 41.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.134 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.528 ' CD1' ' OD1' ' A' ' 51' ' ' ASP . 97.5 m-85 . . . . . 0 N--CA 1.467 0.414 0 CA-C-O 117.89 -1.052 . . . . 0.0 110.465 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.9 p -63.58 -23.23 67.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.551 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.2 t -63.52 -39.97 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.44 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.5 -37.32 85.55 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.701 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.01 -43.67 98.54 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.937 0.398 . . . . 0.0 110.047 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.5 -36.1 82.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.59 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.0 m -63.78 -40.32 96.39 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.011 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.54 -21.97 66.66 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.96 0.409 . . . . 0.0 110.076 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 62.5 t0 -63.35 -35.05 79.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.534 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.0 79.84 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.72 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.28 -36.75 84.72 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.409 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.4 -35.7 81.76 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.378 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.96 -35.91 82.25 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.787 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -63.98 -26.21 68.48 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.365 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.07 -38.85 90.37 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.097 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -70.35 -19.79 63.02 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -97.05 9.28 42.53 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.359 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.91 -37.78 85.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.446 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.8 -36.57 79.37 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.673 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.03 -36.74 80.36 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.594 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.12 -37.95 87.1 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.385 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 98.8 mt-10 -62.68 -36.12 81.87 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.667 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -25.15 67.78 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.614 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.91 -37.68 87.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.23 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.0 -40.7 94.54 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.934 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' A' ' 22' ' ' GLU . 59.3 mp0 -64.12 -36.49 84.22 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.411 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -63.11 -35.84 81.61 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.601 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.74 -39.16 90.58 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.509 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.23 -38.39 86.46 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.563 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.8 m -61.68 -36.55 81.19 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.653 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.08 -36.22 81.04 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.628 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 54.77 44.8 27.91 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.558 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -70.43 -174.21 0.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.37 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -85.96 110.6 19.57 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.851 0.358 . . . . 0.0 110.418 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -70.24 -12.04 61.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.384 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -72.66 -10.19 59.5 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.79 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -62.75 -27.04 69.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.461 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -59.64 -22.26 61.62 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.48 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -66.22 -26.0 67.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.473 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.71 -23.83 67.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.443 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.1 -36.02 80.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.499 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.81 -36.68 83.96 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.555 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -62.91 -36.95 85.05 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.66 -21.8 61.01 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.223 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.6 -28.54 69.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.41 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.2 -28.82 69.42 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.623 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 50' ' ' ALA . 97.5 m-20 -64.52 -10.42 25.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.021 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -56.37 -21.67 26.29 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.432 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.62 -39.14 90.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.45 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . -150.87 150.6 31.09 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.84 -37.04 83.0 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 118.546 0.612 . . . . 0.0 110.718 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 91.1 t80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.327 -179.92 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.3 p -63.64 -23.21 67.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.765 0.316 . . . . 0.0 110.647 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.42 -40.38 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.535 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.58 -37.7 87.24 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.66 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt 54.98 32.73 18.68 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.352 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -99.72 0.12 41.17 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.806 0.336 . . . . 0.0 110.487 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 84.8 m -63.64 132.85 52.41 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.162 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.34 86.07 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.704 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.38 -35.15 79.45 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.25 -37.37 82.85 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.603 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.98 -37.03 85.91 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.678 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.94 -33.8 76.91 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.546 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -62.75 -35.18 78.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.098 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -59.98 -38.99 84.14 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.015 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 3.3 mm? -63.15 -37.95 89.23 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.48 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -69.65 -23.59 63.5 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.274 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -98.22 9.3 43.28 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.452 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.42 -37.82 87.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.38 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.13 -25.52 67.79 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.609 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.17 -26.21 68.2 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.438 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.61 -36.21 82.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.686 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -64.87 -21.31 66.78 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.862 0.363 . . . . 0.0 110.807 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.48 -20.16 59.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.016 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -59.38 -20.46 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.346 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.88 -27.96 67.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.272 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.78 -37.87 85.92 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.699 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.45 -37.05 84.4 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.674 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.8 mt -81.07 -15.3 56.39 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.822 0.344 . . . . 0.0 110.536 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.623 ' HZ2' ' CE1' ' A' ' 35' ' ' HIS . 65.1 tttm -62.46 -37.06 84.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.656 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.7 p -62.35 -21.05 65.0 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.575 0.226 . . . . 0.0 111.287 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -64.05 -21.58 66.58 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.435 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -124.76 149.12 47.66 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.409 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.41 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 58.6 t-80 -85.51 49.71 1.81 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.335 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.422 ' OD1' ' NZ ' ' A' ' 29' ' ' LYS . 57.0 p30 -90.43 11.15 22.48 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.724 0.297 . . . . 0.0 110.683 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.623 ' CE1' ' HZ2' ' A' ' 29' ' ' LYS . 97.2 m-70 -65.11 -25.56 67.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.591 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.5 -25.78 68.41 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.288 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -60.52 -37.54 81.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.335 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -61.83 -37.24 83.71 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.606 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.41 -36.52 84.02 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.326 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.3 -14.82 56.93 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.74 0.305 . . . . 0.0 110.811 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.3 -37.4 80.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.428 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -59.9 -25.11 64.84 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.672 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -62.95 -36.45 83.48 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.842 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.79 -20.99 54.93 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.014 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.12 -28.62 69.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.172 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -61.87 -38.02 86.71 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.941 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.8 t0 54.41 37.44 27.65 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 121.06 -0.256 . . . . 0.0 110.819 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 50.75 35.39 11.87 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.596 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.3 tp -63.63 -39.12 93.54 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.499 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.44 -37.26 82.88 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.699 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 52' ' ' TYR . 98.1 m-20 -61.6 -37.04 82.44 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.61 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 51' ' ' ASP . 90.3 t80 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.572 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 99.4 m . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 120.382 0.134 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.0 -21.41 60.0 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.299 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.25 -26.53 67.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.02 -36.63 80.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.776 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -63.36 -36.73 84.68 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.79 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.6 mp -62.62 -37.16 85.2 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.668 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.431 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 96.8 mt-30 -64.3 -36.86 85.5 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.768 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -62.28 -36.76 83.09 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.5 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.96 -36.71 84.39 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.333 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -74.23 -15.85 60.98 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.804 0.335 . . . . 0.0 110.131 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 13' ' ' GLN . 33.3 m120 -91.72 5.86 48.15 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.667 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -62.29 -20.5 64.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.33 -36.53 80.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.615 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.93 -24.43 67.86 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.989 -0.285 . . . . 0.0 111.094 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.77 -39.22 90.89 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.581 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 60.1 mp0 -64.52 -35.37 80.75 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.394 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.44 -23.46 66.89 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.494 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.57 -38.04 86.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.371 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.34 -38.54 89.88 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.384 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.32 -36.0 80.83 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.65 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -60.85 -38.05 84.2 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.58 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.59 -35.42 80.45 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.54 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -64.35 -28.32 69.62 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 121.039 -0.265 . . . . 0.0 111.267 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.5 p -62.88 -23.28 67.26 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.582 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.5 179.856 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 N--CA 1.463 0.218 0 CA-C-O 120.527 0.203 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -61.6 -37.85 85.4 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.95 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -64.05 -34.96 79.2 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.286 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -22.84 66.2 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.447 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.13 -37.71 83.79 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.18 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -62.33 -37.67 86.53 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.179 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -67.59 -22.75 65.35 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.963 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -25.42 66.33 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.719 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.11 -29.67 70.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.275 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.513 -179.913 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.3 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.898 0.38 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.46 -18.39 51.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.147 0.498 . . . . 0.0 110.269 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.37 -36.9 81.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.467 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.82 -25.01 67.98 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.651 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -61.94 -37.12 83.53 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.728 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.628 ' N ' HD12 ' A' ' 12' ' ' LEU . 8.0 mp -62.27 -37.08 84.1 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.455 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.92 -36.91 85.49 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.665 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -62.69 -36.05 81.67 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.675 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.3 -28.04 68.38 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.504 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -66.24 -23.01 66.34 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.458 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.09 -36.56 82.07 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.574 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.01 -37.87 86.49 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.438 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.93 -25.6 67.69 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.37 -25.65 68.04 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.18 -37.79 86.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.375 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.46 -35.85 80.61 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.611 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.58 -26.64 68.09 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.453 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.21 -37.82 86.81 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.43 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.26 -28.95 69.11 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.388 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.82 -38.04 86.69 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.198 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -61.0 -38.19 85.17 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.26 -36.15 82.7 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.467 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -62.03 -36.93 83.07 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.572 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.3 t -61.15 -39.32 89.63 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.604 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 CA--C 1.529 0.163 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.459 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.7 mttp . . . . . 0 C--O 1.232 0.153 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.42 -36.54 82.69 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.643 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -65.35 -27.97 68.96 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.92 -23.43 67.36 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.41 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.64 -37.34 83.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.254 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -61.44 -38.47 87.29 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.549 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -63.27 -37.35 86.9 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.686 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.75 -22.55 62.24 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.136 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -78.54 -12.5 60.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.86 0.362 . . . . 0.0 110.422 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.645 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.9 m . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.464 0.173 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.72 -21.22 62.58 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.047 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -73.44 -17.35 61.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.596 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.62 -35.77 76.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.687 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -58.22 -26.14 62.49 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.982 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.08 -36.29 83.53 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.164 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.35 -35.08 79.71 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.669 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -59.58 -38.05 80.14 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.664 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.27 -34.82 78.5 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.23 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.33 -36.32 79.84 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -95.95 15.31 20.86 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.567 0.222 . . . . 0.0 111.065 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -59.94 -18.52 45.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 0.0 110.372 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.85 -23.13 66.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.36 -26.04 67.56 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.421 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 98.7 mt-10 -63.0 -35.86 81.64 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.63 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -67.15 -26.02 66.45 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.147 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.08 80.94 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.896 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 59.9 mp0 -63.04 -36.14 82.58 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.352 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.93 -38.14 87.31 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.422 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.83 -32.6 72.93 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.783 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -59.91 -37.95 80.9 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.615 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.624 ' N ' HD12 ' A' ' 28' ' ' LEU . 8.1 mp -62.14 -37.18 84.19 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.522 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -61.45 -38.12 86.06 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.38 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.5 m -61.5 -36.69 81.21 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.66 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.531 0.217 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.714 -179.793 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.5 tttp . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.55 -36.5 82.83 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.776 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.55 -36.36 82.39 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.713 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.19 -36.03 78.76 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.668 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.31 -28.14 68.99 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.61 0.243 . . . . 0.0 111.006 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -61.68 -15.78 43.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.001 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -56.43 -19.0 12.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.739 0.304 . . . . 0.0 110.85 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.98 -23.37 65.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.731 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.11 -38.56 89.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.468 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 . . . . . 0 C--N 1.333 -0.151 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.66 -179.802 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 94.3 m . . . . . 0 CA--C 1.531 0.248 0 CA-C-O 120.613 0.244 . . . . 0.0 111.401 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.53 -14.68 62.18 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.669 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 46.4 p-10 -67.79 -18.39 64.84 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.414 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -61.72 -38.07 86.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.456 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.12 -36.7 85.1 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.736 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.08 -39.23 94.09 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.512 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.09 -37.13 86.33 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.555 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -61.69 -37.8 85.47 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.348 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.06 -39.16 91.45 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.216 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -70.19 -20.77 63.1 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.835 0.35 . . . . 0.0 110.107 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -97.18 8.75 43.9 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.444 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.25 -38.04 87.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.397 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.1 -27.36 68.87 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.431 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.43 -26.77 68.68 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.5 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.06 -38.58 89.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.354 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.31 -36.33 83.32 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.583 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.76 80.55 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.644 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -84.24 -18.62 35.89 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.879 0.371 . . . . 0.0 110.443 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.77 -41.37 97.97 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.399 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -71.28 -19.54 62.33 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.93 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.78 -38.42 88.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.8 mt -65.26 -32.9 74.8 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.296 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.42 -38.38 83.87 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.513 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.5 p -61.77 -34.3 75.62 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.501 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.221 179.78 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.8 pttt . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.799 0.333 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.83 -27.27 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.355 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.43 -29.71 70.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.408 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.29 -24.38 67.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.71 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.13 -35.93 80.25 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.37 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -61.52 -38.18 86.45 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.411 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.72 -35.86 81.1 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.2 -23.59 56.19 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.86 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.67 -32.59 74.32 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 CA--C 1.532 0.269 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.126 179.822 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.7 m . . . . . 0 CA--C 1.533 0.298 0 CA-C-O 120.531 0.205 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -19.37 50.3 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.392 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 52.4 p-10 -62.45 -17.58 59.74 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.306 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.514 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -60.85 -36.31 78.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.7 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -63.04 -35.86 81.64 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.551 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.41 -36.38 83.55 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.343 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.88 -36.97 85.68 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.623 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.11 -37.29 82.23 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.515 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.11 -36.17 80.94 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.489 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.06 -38.17 85.23 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.085 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.26 -36.13 81.1 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.445 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -61.56 -37.65 84.6 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.55 79.46 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.495 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.85 -36.55 79.43 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.38 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.74 -36.86 82.22 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.11 -37.74 83.82 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.245 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.64 -36.64 79.16 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.468 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.11 -37.73 86.23 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.306 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.64 -37.47 81.6 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.479 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.91 -36.05 76.17 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.628 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -59.87 -38.6 82.63 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.781 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.597 ' N ' HD12 ' A' ' 28' ' ' LEU . 8.3 mp -63.64 -36.4 83.72 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.626 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -65.59 -24.46 67.08 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.749 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.6 m -62.32 -37.57 86.08 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.501 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 . . . . . 0 CA--C 1.529 0.163 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.498 179.932 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.4 pttt . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 120.738 0.304 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -63.02 -36.45 83.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.548 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.35 -35.17 79.51 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.927 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.38 -22.74 66.37 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.174 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.69 -36.29 80.48 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.757 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -63.15 -36.25 82.99 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.726 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -66.35 -21.74 66.25 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.646 0.26 . . . . 0.0 110.87 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.77 -24.71 65.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.801 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.18 -38.2 88.16 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.413 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 CA--C 1.528 0.134 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.862 -179.538 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 99.9 m . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 120.431 0.158 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.47 -18.59 51.71 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.946 0.403 . . . . 0.0 110.297 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.41 -36.27 83.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.751 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.17 -26.07 68.64 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.281 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.55 -27.5 68.49 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.984 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.596 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.7 mp -63.01 -23.1 67.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.656 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -55.58 -20.9 14.95 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.232 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.6 -38.04 86.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.476 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.52 -28.13 68.31 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.278 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -61.22 -37.81 84.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -61.97 -36.82 82.58 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.626 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -63.69 -35.28 80.03 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.623 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.41 -24.2 67.27 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.507 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.15 -24.54 67.23 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.324 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.04 -37.61 85.59 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.415 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.12 -35.73 79.6 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.959 -0.297 . . . . 0.0 110.638 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.35 -25.83 67.41 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.462 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.33 -38.17 88.45 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.25 -34.88 79.13 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.604 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.1 -27.43 69.09 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.9 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -62.49 -35.87 80.72 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.695 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.15 -39.13 91.57 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.414 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.79 -29.54 69.52 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 121.165 -0.214 . . . . 0.0 111.43 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.0 p -63.95 -21.58 66.54 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.117 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 C--N 1.329 -0.295 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.604 -179.784 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.77 0.319 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.33 -36.1 75.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.444 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -58.6 -19.24 36.83 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.419 -0.513 . . . . 0.0 110.521 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.56 -24.34 67.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.169 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.68 -34.61 77.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.7 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 -60.55 -37.76 82.3 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.738 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -68.32 -22.89 64.68 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.191 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.83 -28.94 69.18 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.011 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.637 ' N ' HD12 ' A' ' 45' ' ' LEU . 7.8 mp -62.67 -37.07 84.98 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.976 -0.289 . . . . 0.0 110.715 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.529 0.154 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.663 -179.856 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.1 m . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.435 0.16 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.67 -22.01 66.87 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.906 0.384 . . . . 0.0 110.119 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 63.9 t0 -62.5 -35.94 80.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.401 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.24 81.04 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.66 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.29 -38.0 87.66 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.023 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.41 HD23 HD12 ' A' ' 15' ' ' LEU . 86.4 mt -64.79 -35.38 80.92 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.319 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -63.02 -36.94 85.23 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.668 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.421 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 89.6 mmt-85 -66.19 -25.73 67.07 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.028 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.41 HD12 HD23 ' A' ' 12' ' ' LEU . 91.4 mt -76.26 -16.0 59.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.392 . . . . 0.0 110.155 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -61.1 -37.93 84.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.54 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 53.5 p30 -82.39 3.59 27.36 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.745 0.307 . . . . 0.0 110.809 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.03 -37.65 85.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.009 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.24 -26.79 67.98 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.77 -24.13 67.57 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.118 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.92 -37.88 86.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.006 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.08 -35.99 80.34 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.409 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.5 77.44 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.451 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -64.53 -18.64 65.01 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.798 0.333 . . . . 0.0 111.128 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.7 tp -58.21 -35.45 71.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.475 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -56.79 -18.61 13.41 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.646 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -62.52 -36.87 83.96 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.54 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.3 mt -82.55 -14.71 54.43 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.787 0.327 . . . . 0.0 110.544 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.26 -38.0 85.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.475 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.8 p -61.57 -33.52 74.01 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.587 179.862 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 120.595 0.236 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -61.98 -22.57 65.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.055 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -63.35 -22.2 66.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.339 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.05 -22.8 67.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.347 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.07 -36.68 82.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.59 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.14 -37.98 89.37 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.441 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -70.28 -33.51 71.66 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.34 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.07 79.89 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -177.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 pp -72.0 -27.13 62.54 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.209 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.282 179.485 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.2 m . . . . . 0 CA--C 1.532 0.264 0 CA-C-O 120.326 0.108 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.71 -21.73 62.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.94 0.4 . . . . 0.0 110.157 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.8 -24.22 64.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.519 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.8 -37.08 80.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.558 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.74 -36.69 84.72 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.467 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.57 -34.89 79.31 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.265 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.11 -36.15 82.63 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.746 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.433 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 83.3 mtp180 -62.7 -35.04 78.41 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.604 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.5 -24.16 65.55 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.05 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.88 -24.52 67.56 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.254 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 53.2 p30 -78.33 -1.44 33.22 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.983 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -67.17 -26.93 66.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.508 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.6 -23.69 67.17 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.488 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.92 -24.84 67.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.315 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -62.21 -36.19 81.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.514 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.25 -36.08 80.92 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.595 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.62 79.93 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.477 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.42 -35.88 80.63 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.54 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.73 -28.93 69.41 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.235 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.84 -38.01 86.63 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.462 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -63.08 -35.74 81.27 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.475 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.66 -29.32 69.86 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.632 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.48 -34.39 76.75 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.798 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.9 p -60.43 -29.43 69.0 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.783 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--N 1.329 -0.294 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.294 179.597 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 CA--C 1.533 0.292 0 N-CA-C 111.641 0.238 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -60.95 -38.6 86.46 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.464 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.63 -34.36 78.03 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.676 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.42 -16.41 54.86 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 110.652 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.11 -34.81 72.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.284 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -57.2 -24.55 55.25 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.838 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.97 -22.18 64.12 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.918 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.33 -22.61 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.675 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -75.66 -13.17 60.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.38 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.711 -179.816 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.7 p . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.778 0.323 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -18.16 41.2 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.679 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 59.1 p30 -66.33 -17.66 64.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.489 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.518 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -61.31 -36.57 80.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.757 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.06 -36.58 84.04 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.704 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.69 -36.54 84.19 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.541 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.15 -37.11 86.26 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.808 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.64 -36.74 83.79 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.652 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.11 -38.71 89.95 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.139 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -70.16 -19.96 63.17 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.938 0.399 . . . . 0.0 109.961 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -90.96 1.79 56.76 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.543 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.32 -38.08 88.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.404 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.47 80.32 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.615 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.03 -30.43 70.3 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.483 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.9 -38.07 87.01 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.52 -35.79 80.53 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.759 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.66 79.49 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.26 -36.23 81.4 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.643 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.34 -35.41 80.3 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.504 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.39 -24.99 67.83 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.797 0.332 . . . . 0.0 110.628 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -61.1 -38.08 85.03 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.95 -28.68 68.48 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.485 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.01 -38.36 85.81 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.491 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.4 p -61.69 -34.95 76.67 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.843 0.354 . . . . 0.0 110.493 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.733 179.868 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.577 0.227 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.34 -36.69 82.98 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.668 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.65 -35.68 80.4 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.955 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.17 -23.8 66.81 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.728 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.86 -26.06 67.11 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.709 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -62.19 -15.59 47.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -56.04 -18.15 8.78 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.321 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.41 76.66 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.138 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.616 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.2 mm? -63.13 -35.58 80.76 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.511 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 . . . . . 0 CA--C 1.529 0.167 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.792 -179.699 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.5 m . . . . . 0 CA--C 1.533 0.308 0 CA-C-O 120.645 0.259 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.444 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -59.92 -19.05 49.58 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.581 -178.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 51.5 p-10 -65.05 -18.52 65.37 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.959 -0.697 . . . . 0.0 110.508 -179.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -62.12 -38.73 90.03 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.065 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 8' ' ' ALA . 60.0 mp0 -64.32 -36.43 84.11 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.701 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.616 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.7 mp -62.75 -36.69 83.86 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.622 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.84 -37.09 86.08 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.652 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.404 HH21 ' HD3' ' A' ' 14' ' ' ARG . 37.8 ttp-105 -61.32 -38.66 87.67 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.774 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.71 -39.56 94.42 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -68.49 -23.67 64.59 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.341 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -96.12 20.55 10.05 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.437 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -63.82 -19.3 64.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.55 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.11 -36.45 79.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.88 -26.58 68.24 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.491 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -38.13 87.66 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.373 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.58 -37.75 87.4 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.373 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.29 79.3 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.512 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.15 -36.24 81.23 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.599 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.02 -38.6 89.27 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.404 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.22 -36.17 81.16 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.744 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -60.94 -37.74 83.39 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.553 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.99 -38.82 90.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.402 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.0 -36.37 81.33 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.657 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.3 t -61.06 -38.94 87.99 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.744 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.529 0.164 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.708 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 CA--C 1.528 0.121 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -67.51 -23.75 65.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.559 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.81 -37.07 83.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.565 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.15 -34.84 74.11 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.519 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.2 -34.51 75.2 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.34 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -61.02 -39.41 89.64 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.614 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.43 -37.67 88.19 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.79 -24.28 63.98 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.198 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.7 mt -76.54 -14.34 60.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.759 0.314 . . . . 0.0 110.326 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.483 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.5 m . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.504 0.193 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.61 -17.96 52.66 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.839 0.352 . . . . 0.0 110.069 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -65.5 -27.58 68.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.527 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.24 -36.26 79.49 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.733 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.84 -37.17 85.76 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.806 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.64 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.7 mp -62.91 -36.85 84.74 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.591 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.91 -37.18 86.46 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.665 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -60.83 -38.78 86.64 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.471 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.78 -35.95 81.51 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.503 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.83 -38.3 84.98 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.415 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.46 -36.19 79.73 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.479 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.26 -34.7 78.23 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.61 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.91 -23.82 66.57 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.453 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.02 -25.53 67.71 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.246 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.21 -37.83 86.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.421 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.45 -34.4 76.72 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.645 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.66 -33.54 72.97 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.753 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.69 -21.57 64.57 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.699 0.285 . . . . 0.0 110.818 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.87 -19.3 64.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.652 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -57.76 -18.83 23.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.447 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -62.15 -36.28 81.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.78 -35.3 80.14 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.423 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.67 -26.3 68.32 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.024 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.5 m -62.52 -26.15 68.4 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.694 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.129 -179.659 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 120.472 0.177 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -60.94 -39.18 88.5 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.314 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.21 -28.47 69.4 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.74 0.305 . . . . 0.0 110.844 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.79 -25.46 67.5 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.734 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.25 -35.49 79.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.605 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -61.42 -38.3 86.65 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.647 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.9 -23.46 65.11 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.614 0.245 . . . . 0.0 111.081 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.39 -24.62 66.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.84 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.7 mt -79.32 -11.87 59.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.347 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.479 -179.917 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.466 0.351 0 CA-C-O 120.855 0.36 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.17 -17.72 62.69 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.76 -36.24 80.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.582 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.06 80.78 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.603 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.43 -36.76 84.8 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.429 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.35 -28.53 67.21 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.245 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -61.73 -37.44 84.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.536 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -61.14 -37.99 84.83 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.376 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.9 -35.07 79.47 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.457 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.4 -29.71 70.96 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.824 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -61.79 -36.62 81.62 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.695 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.34 -37.59 86.24 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.416 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.56 -24.15 67.38 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.666 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.32 -23.89 67.02 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.511 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.19 -36.28 81.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.619 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.18 -37.58 85.8 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.418 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.5 77.15 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.567 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.22 -27.86 69.35 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.599 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.92 -38.76 89.6 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.425 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.77 -38.48 88.19 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.288 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -61.89 -38.27 87.71 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.697 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.24 -36.95 85.35 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.652 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.92 -38.38 88.18 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.947 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.6 p -63.04 -24.39 67.89 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.811 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.53 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 120.538 0.209 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.61 -38.62 88.27 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.532 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.22 -30.35 71.23 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.565 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.37 -25.74 68.08 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.526 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.43 -28.25 69.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.582 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -68.36 -23.9 64.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.788 0.328 . . . . 0.0 110.193 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -72.6 -18.29 61.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.44 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.97 -24.13 66.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.506 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.0 -26.98 67.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.371 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.578 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.6 m . . . . . 0 CA--C 1.531 0.245 0 CA-C-O 120.694 0.283 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.01 -14.89 62.5 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.644 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 44.5 p-10 -67.47 -17.51 64.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.475 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.509 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -60.95 -37.99 84.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.18 -36.85 85.5 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.476 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.69 -35.51 81.29 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.175 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.59 -35.83 81.79 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.467 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -60.62 -38.0 83.3 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.43 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.96 -39.33 91.77 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.629 -0.428 . . . . 0.0 109.959 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.9 -37.73 85.69 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.368 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 64.0 t-20 -60.46 -36.82 79.18 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.652 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -62.03 -36.7 82.35 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.345 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.62 -23.28 66.98 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.554 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.61 -26.35 67.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.469 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.414 ' OE2' ' OE1' ' A' ' 24' ' ' GLU . 52.8 tp10 -61.71 -38.31 87.41 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.45 -34.79 78.52 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.569 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.53 -27.07 68.34 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.005 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.414 ' OE1' ' OE2' ' A' ' 21' ' ' GLU . 98.8 mt-10 -62.18 -36.24 81.29 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.547 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.648 ' N ' HD12 ' A' ' 25' ' ' LEU . 7.9 mp -62.48 -36.15 81.57 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.487 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.47 -37.6 84.2 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -61.98 -36.35 81.2 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.582 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.48 -29.5 70.17 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.319 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.14 -38.39 86.24 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.618 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.8 t -61.22 -38.94 88.4 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.617 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--N 1.332 -0.189 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.758 -179.751 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 N--CA 1.465 0.28 0 N-CA-C 111.353 0.131 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.03 -36.82 82.73 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.891 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.21 -29.24 70.03 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.703 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.46 -18.69 65.51 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.692 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -62.89 -19.2 63.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.245 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -58.68 -23.74 59.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.455 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -68.81 -21.89 64.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.975 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -24.4 65.55 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.742 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.59 -32.23 73.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.122 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.935 -179.757 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.1 m . . . . . 0 CA--C 1.53 0.198 0 CA-C-O 120.382 0.134 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.31 -23.06 66.91 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.477 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.44 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 97.7 m-20 -63.19 -36.65 84.35 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.773 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.21 -25.56 67.87 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.94 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.14 -38.28 88.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.06 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.624 ' N ' HD12 ' A' ' 12' ' ' LEU . 8.0 mp -62.45 -38.96 91.81 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.173 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 9' ' ' ASP . 26.2 mp0 -70.49 -24.84 62.92 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.705 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -60.58 -37.71 82.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.488 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.609 ' N ' HD12 ' A' ' 15' ' ' LEU . 8.0 mp -61.92 -37.68 85.59 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.504 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.82 -36.86 84.59 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.45 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.36 -36.79 83.35 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.585 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.39 -38.4 89.48 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.52 -23.0 67.13 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.455 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.07 -17.63 34.59 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.805 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.1 -38.3 90.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.749 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -68.98 -19.15 64.14 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.921 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.64 81.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.672 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -62.03 -39.2 91.51 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.106 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.94 -39.09 93.36 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.323 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.24 -36.67 84.42 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.5 mmm-85 -63.17 -36.73 84.59 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.397 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.4 mt -82.28 -15.13 54.08 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.774 0.321 . . . . 0.0 110.454 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.59 -38.33 87.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.466 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.4 p -61.6 -34.75 76.18 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.476 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.586 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 CA--C 1.529 0.147 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.36 -36.78 83.32 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.631 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.22 -21.66 66.31 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.77 0.319 . . . . 0.0 110.8 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.19 -19.48 61.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -58.9 -19.93 46.83 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.487 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -61.62 -37.8 85.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.493 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -68.39 -22.9 64.62 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.662 0.268 . . . . 0.0 111.006 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -25.95 67.3 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.863 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.591 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.0 mm? -63.13 -37.05 85.69 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.567 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 . . . . . 0 CA--C 1.53 0.183 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.553 179.795 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.3 m . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.492 0.187 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.46 -18.95 62.28 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.901 0.381 . . . . 0.0 110.204 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 64.9 t0 -62.13 -36.44 81.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.638 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.23 -29.99 70.17 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.503 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.87 -37.66 85.35 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.561 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.12 -36.63 84.25 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.394 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.79 -36.22 83.16 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.581 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -64.07 -28.81 70.04 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.671 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.65 -27.46 68.39 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.437 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.25 -25.95 68.28 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.422 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -61.86 -36.52 81.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.548 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.43 -37.51 86.12 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.362 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.84 -25.31 67.45 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.467 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.46 -24.59 67.53 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.3 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.02 -37.63 85.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.398 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.16 -35.85 80.07 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.679 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -27.0 68.3 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.391 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.99 -37.44 84.83 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.265 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.26 -34.19 77.14 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.569 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.59 -26.84 68.87 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.969 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.17 -36.27 81.34 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.567 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.403 HD12 ' OE1' ' A' ' 31' ' ' GLU . 60.7 tp -62.22 -38.61 89.86 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.296 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -61.41 -39.09 89.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.699 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.9 p -62.92 -33.8 76.09 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.583 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' OE1' HD12 ' A' ' 28' ' ' LEU . 98.9 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.712 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt . . . . . 0 C--O 1.232 0.183 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.1 -36.83 82.89 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.678 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.83 -35.96 81.65 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.6 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.28 -19.87 65.7 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.7 0.286 . . . . 0.0 110.785 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.21 -37.52 80.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.721 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -62.44 -36.33 82.07 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.529 ' CD ' ' N ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -66.12 -23.02 66.42 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.729 0.299 . . . . 0.0 110.838 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.74 -23.05 64.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.732 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.6 mt -64.76 -31.72 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.585 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 CA--C 1.529 0.16 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.847 -179.612 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.433 0.158 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.88 -21.36 62.41 Favored 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -77.45 -16.64 58.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.612 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.39 -36.59 78.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.516 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -60.18 -25.38 65.52 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.753 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -80.26 -16.61 54.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.26 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.77 -37.21 85.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.656 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -62.68 -36.39 82.76 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.746 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.86 -39.0 90.34 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.403 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.5 -38.41 87.22 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.348 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.12 -36.57 82.16 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.637 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.28 -34.65 78.15 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.484 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.9 -23.4 66.3 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.609 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.26 -27.2 68.29 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.484 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.12 -35.29 79.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.489 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.49 -35.1 78.28 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.752 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.26 -26.93 68.1 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.766 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.54 -25.72 67.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.766 0.317 . . . . 0.0 110.459 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.92 -26.03 66.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.325 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.07 -36.13 80.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.964 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -62.11 -36.74 82.65 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.678 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.643 ' N ' HD12 ' A' ' 28' ' ' LEU . 7.7 mp -63.42 -36.21 82.98 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.462 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.76 -29.65 69.53 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.029 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.2 m -58.56 -16.21 14.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.592 0.234 . . . . 0.0 111.023 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 . . . . . 0 C--N 1.329 -0.317 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.679 -179.552 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt . . . . . 0 N--CA 1.462 0.173 0 CA-C-O 120.857 0.36 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -61.45 -23.36 65.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.217 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.63 -35.8 80.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.509 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.34 -21.96 66.58 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.703 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.01 -37.04 81.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.423 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -60.61 -38.13 83.7 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -62.18 -36.74 82.81 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.87 -14.86 10.14 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.858 0.361 . . . . 0.0 111.056 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.9 tp -57.92 -37.36 73.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 . . . . . 0 N--CA 1.462 0.149 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.362 -179.696 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.2 p . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.85 0.357 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.72 -18.46 54.52 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.264 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.37 -35.03 76.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.722 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.22 -37.29 79.85 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.783 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.59 -36.7 84.68 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.582 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.4 -35.26 80.32 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.06 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -63.77 -35.05 79.31 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.009 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.6 mmm-85 -60.59 -36.42 78.49 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.442 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.6 tp -61.47 -38.89 88.88 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.553 -0.459 . . . . 0.0 109.99 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.52 -38.09 86.13 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.338 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 63.4 t-20 -60.28 -37.26 79.93 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.462 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.06 -35.46 80.31 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.422 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.47 -24.21 67.33 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.482 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.22 -24.74 67.4 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.333 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.37 -36.02 80.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.49 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.39 -37.45 85.79 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.468 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.42 -27.83 68.82 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.432 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.3 -37.89 87.27 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.371 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.81 -36.1 82.06 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.392 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.86 -38.17 87.26 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.458 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.8 -36.74 84.13 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.51 -39.07 92.32 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.475 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.51 -38.52 87.67 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.113 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.9 p -61.78 -33.67 74.51 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.61 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.676 179.911 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt . . . . . 0 CA--C 1.533 0.327 0 N-CA-C 111.354 0.131 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.61 -38.72 88.66 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.609 -0.437 . . . . 0.0 111.441 -178.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 58.9 mp0 -67.47 -29.16 68.54 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.292 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.87 -24.46 67.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.408 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.12 -36.08 80.69 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.39 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -63.02 -36.6 84.1 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.699 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.42 -37.14 84.7 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.578 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.68 -22.96 62.68 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.203 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 45' ' ' LEU . 96.9 mt -63.36 -35.24 79.75 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.393 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.333 -0.129 0 CA-C-O 120.762 0.315 . . . . 0.0 110.358 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.7 m . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.352 0.12 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.96 -19.19 52.31 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.926 0.393 . . . . 0.0 110.129 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.07 -36.55 83.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.552 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.48 -28.15 69.63 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.645 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -70.07 -24.37 63.23 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.691 0.282 . . . . 0.0 110.84 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.2 -16.4 63.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.709 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -52.35 -21.02 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.506 -179.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -61.29 -38.36 86.51 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.425 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.87 -35.34 80.31 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.256 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.0 -25.37 68.1 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.507 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -61.17 -36.34 79.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.36 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.47 -37.45 85.98 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.425 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.71 -25.5 67.46 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.555 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.97 -35.56 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.239 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.06 -35.75 79.58 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.41 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.63 -37.6 84.56 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.204 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.05 -34.95 75.68 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.503 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -63.95 -24.84 67.88 Favored 'General case' 0 C--N 1.334 -0.078 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.32 -35.26 76.89 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.485 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.427 ' C ' ' N ' ' A' ' 28' ' ' LEU . 80.7 mm-40 -59.9 -17.97 41.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.14 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.412 ' O ' ' OG ' ' A' ' 30' ' ' SER . 15.5 ptm180 -48.62 -17.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.033 0.444 . . . . 0.0 110.544 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 26' ' ' GLU . 59.6 tp -58.71 -36.48 74.32 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.281 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -57.51 -26.22 61.01 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.098 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 95.4 p -63.23 -22.81 67.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.898 0.38 . . . . 0.0 110.235 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.406 179.742 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 tptm . . . . . 0 CA--C 1.528 0.106 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.26 -38.29 86.16 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.02 -29.29 70.19 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.557 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.95 -24.21 67.77 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.624 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.87 -35.22 79.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.474 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -62.58 -36.4 82.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.75 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -67.06 -23.06 65.84 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.699 0.285 . . . . 0.0 111.07 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.13 65.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.719 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.2 mt -66.19 -29.06 69.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.349 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 . . . . . 0 CA--C 1.53 0.201 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.263 -179.91 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.0 m . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 120.4 0.143 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.54 -21.97 66.66 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.96 0.409 . . . . 0.0 110.076 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 62.5 t0 -63.35 -35.05 79.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.534 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.0 79.84 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.72 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.28 -36.75 84.72 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.409 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.4 -35.7 81.76 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.378 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.96 -35.91 82.25 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.787 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -63.98 -26.21 68.48 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.365 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.07 -38.85 90.37 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.097 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -70.35 -19.79 63.02 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -97.05 9.28 42.53 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.359 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.91 -37.78 85.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.446 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.8 -36.57 79.37 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.673 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.03 -36.74 80.36 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.594 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.12 -37.95 87.1 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.385 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 98.8 mt-10 -62.68 -36.12 81.87 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.667 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -25.15 67.78 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.614 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.91 -37.68 87.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.23 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.0 -40.7 94.54 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.934 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' A' ' 22' ' ' GLU . 59.3 mp0 -64.12 -36.49 84.22 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.411 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -63.11 -35.84 81.61 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.601 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.74 -39.16 90.58 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.509 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.23 -38.39 86.46 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.563 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.8 m -61.68 -36.55 81.19 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.653 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.53 0.183 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.628 -179.883 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt . . . . . 0 N--CA 1.462 0.146 0 CA-C-O 120.504 0.192 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -59.64 -22.26 61.62 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.48 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -66.22 -26.0 67.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.473 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.71 -23.83 67.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.443 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.1 -36.02 80.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.499 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.81 -36.68 83.96 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.555 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -62.91 -36.95 85.05 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.66 -21.8 61.01 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.223 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.6 -28.54 69.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.41 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 N--CA 1.465 0.308 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.623 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 9' ' ' ASP . 84.8 m . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.34 86.07 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.704 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.413 ' H ' HG22 ' A' ' 7' ' ' THR . 98.0 m-20 -63.38 -35.15 79.45 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.25 -37.37 82.85 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.603 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.98 -37.03 85.91 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.678 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.94 -33.8 76.91 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.546 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -62.75 -35.18 78.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.098 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -59.98 -38.99 84.14 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.015 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.619 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.3 mm? -63.15 -37.95 89.23 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.48 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -69.65 -23.59 63.5 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.274 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -98.22 9.3 43.28 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.452 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.42 -37.82 87.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.38 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.13 -25.52 67.79 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.609 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.17 -26.21 68.2 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.438 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.61 -36.21 82.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.686 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -64.87 -21.31 66.78 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.862 0.363 . . . . 0.0 110.807 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.48 -20.16 59.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.016 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -59.38 -20.46 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.346 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.88 -27.96 67.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.272 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.78 -37.87 85.92 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.699 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.45 -37.05 84.4 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.674 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.8 mt -81.07 -15.3 56.39 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.822 0.344 . . . . 0.0 110.536 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.46 -37.06 84.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.656 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.7 p -62.35 -21.05 65.0 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.575 0.226 . . . . 0.0 111.287 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--N 1.329 -0.3 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.435 -179.809 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 tptp . . . . . 0 C--O 1.233 0.21 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -61.83 -37.24 83.71 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.606 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.41 -36.52 84.02 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.326 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.3 -14.82 56.93 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.74 0.305 . . . . 0.0 110.811 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.3 -37.4 80.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.428 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -59.9 -25.11 64.84 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.672 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -62.95 -36.45 83.48 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.842 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.79 -20.99 54.93 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.014 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.12 -28.62 69.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.172 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 . . . . . 0 CA--C 1.532 0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.941 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 t -156.71 -167.89 2.52 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 121.21 -0.196 . . . . 0.0 110.542 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -53.62 -16.9 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 110.418 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -59.87 -17.89 40.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.017 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.36 -39.49 90.8 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.308 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.4 mt -64.62 -32.5 74.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.403 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 99.4 m -63.47 -41.75 98.6 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.964 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.0 -21.41 60.0 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.299 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.25 -26.53 67.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.02 -36.63 80.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.776 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -63.36 -36.73 84.68 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.79 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.6 mp -62.62 -37.16 85.2 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.668 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.431 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 96.8 mt-30 -64.3 -36.86 85.5 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.768 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -62.28 -36.76 83.09 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.5 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.96 -36.71 84.39 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.333 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -74.23 -15.85 60.98 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.804 0.335 . . . . 0.0 110.131 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 13' ' ' GLN . 33.3 m120 -91.72 5.86 48.15 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.667 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -62.29 -20.5 64.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.33 -36.53 80.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.615 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.93 -24.43 67.86 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.989 -0.285 . . . . 0.0 111.094 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.77 -39.22 90.89 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.581 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 60.1 mp0 -64.52 -35.37 80.75 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.394 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.44 -23.46 66.89 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.494 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.57 -38.04 86.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.371 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.34 -38.54 89.88 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.384 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.32 -36.0 80.83 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.65 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -60.85 -38.05 84.2 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.58 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.59 -35.42 80.45 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.54 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -64.35 -28.32 69.62 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 121.039 -0.265 . . . . 0.0 111.267 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.5 p -62.88 -23.28 67.26 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.582 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.92 -36.06 82.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.5 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 64.6 3.21 1.86 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.98 0.419 . . . . 0.0 110.232 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.57 -47.17 87.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.352 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.11 -37.27 84.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.791 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -67.17 -33.63 75.81 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.23 -26.79 68.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.736 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.47 -25.58 67.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.225 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -61.6 -37.85 85.4 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.95 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -64.05 -34.96 79.2 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.286 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -22.84 66.2 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.447 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.13 -37.71 83.79 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.18 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -62.33 -37.67 86.53 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.179 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -67.59 -22.75 65.35 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.963 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -25.42 66.33 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.719 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.11 -29.67 70.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.275 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.49 -27.72 68.68 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.513 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 54.1 38.71 29.63 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.596 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.48 -37.73 87.11 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.452 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.5 mt 58.07 37.58 26.51 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.604 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.53 -29.07 69.76 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.495 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 52' ' ' TYR . 98.0 m-20 -61.53 -36.92 81.91 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.698 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 94.4 m-85 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' C ' ' H ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 p 73.82 -10.82 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.733 0.302 . . . . 0.0 110.525 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.404 ' H ' ' C ' ' A' ' 1' ' ' GLY . 53.8 t -63.62 -40.05 87.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.378 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.65 -38.37 90.03 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.496 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.94 -39.65 92.8 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.476 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.47 -39.03 92.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.401 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.3 p -70.23 -31.82 69.41 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.898 0.38 . . . . 0.0 110.933 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.46 -18.39 51.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.147 0.498 . . . . 0.0 110.269 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.37 -36.9 81.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.467 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.82 -25.01 67.98 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.651 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -61.94 -37.12 83.53 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.728 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.628 ' N ' HD12 ' A' ' 12' ' ' LEU . 8.0 mp -62.27 -37.08 84.1 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.455 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.92 -36.91 85.49 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.665 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -62.69 -36.05 81.67 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.675 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.3 -28.04 68.38 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.504 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -66.24 -23.01 66.34 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.458 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.09 -36.56 82.07 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.574 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.01 -37.87 86.49 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.438 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.93 -25.6 67.69 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.37 -25.65 68.04 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.18 -37.79 86.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.375 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.46 -35.85 80.61 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.611 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.58 -26.64 68.09 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.453 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.21 -37.82 86.81 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.43 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.26 -28.95 69.11 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.388 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.82 -38.04 86.69 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.198 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -61.0 -38.19 85.17 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.26 -36.15 82.7 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.467 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -62.03 -36.93 83.07 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.572 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.3 t -61.15 -39.32 89.63 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.604 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.56 -35.62 81.09 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.459 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -85.44 121.12 27.7 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -100.97 -5.99 25.13 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.823 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.52 ' OD1' ' NZ ' ' A' ' 37' ' ' LYS . 57.0 p30 -160.99 151.65 18.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.481 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -102.75 13.1 35.26 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.816 0.341 . . . . 0.0 110.208 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.0 p30 -81.72 1.62 33.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.162 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.52 ' NZ ' ' OD1' ' A' ' 34' ' ' ASP . 63.7 mttp -62.22 -36.8 83.09 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.555 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.42 -36.54 82.69 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.643 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -65.35 -27.97 68.96 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.92 -23.43 67.36 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.41 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.64 -37.34 83.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.254 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -61.44 -38.47 87.29 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.549 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -63.27 -37.35 86.9 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.686 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.424 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -59.75 -22.55 62.24 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.136 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -78.54 -12.5 60.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.86 0.362 . . . . 0.0 110.422 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.52 -37.95 88.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.645 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 44' ' ' ALA . 55.6 p30 -85.16 4.19 35.58 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.74 0.305 . . . . 0.0 110.7 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.37 -38.78 88.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.495 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.8 mt -83.65 -10.98 57.84 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.401 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.25 -26.14 68.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.542 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -84.72 2.6 41.22 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.633 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.1 t80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.493 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.1 p -63.37 -23.75 67.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.745 0.307 . . . . 0.0 110.497 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.34 -39.99 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.311 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.64 -36.82 84.05 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.642 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.06 -39.53 92.71 Favored 'General case' 0 C--O 1.23 0.069 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.423 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.765 ' O ' HD23 ' A' ' 6' ' ' LEU . 5.2 tt -65.27 -35.36 80.78 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.9 m -65.64 -40.98 93.1 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.037 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.72 -21.22 62.58 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.047 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -73.44 -17.35 61.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.596 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.62 -35.77 76.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.687 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -58.22 -26.14 62.49 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.982 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.08 -36.29 83.53 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.164 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.35 -35.08 79.71 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.669 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -59.58 -38.05 80.14 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.664 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.27 -34.82 78.5 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.23 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.33 -36.32 79.84 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -95.95 15.31 20.86 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.567 0.222 . . . . 0.0 111.065 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -59.94 -18.52 45.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 0.0 110.372 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.85 -23.13 66.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.36 -26.04 67.56 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 98.7 mt-10 -63.0 -35.86 81.64 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.63 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -67.15 -26.02 66.45 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.147 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.08 80.94 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.896 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 59.9 mp0 -63.04 -36.14 82.58 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.352 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.93 -38.14 87.31 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.422 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.83 -32.6 72.93 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.783 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -59.91 -37.95 80.9 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.615 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.624 ' N ' HD12 ' A' ' 28' ' ' LEU . 8.1 mp -62.14 -37.18 84.19 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.522 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -61.45 -38.12 86.06 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.38 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.5 m -61.5 -36.69 81.21 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.66 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.32 -36.72 83.04 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.714 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 48.47 55.44 8.94 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.003 0.43 . . . . 0.0 110.237 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -60.53 -48.21 82.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.564 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -65.07 136.67 57.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.619 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -91.76 -8.07 47.83 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.915 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -86.41 4.46 39.39 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.485 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.42 -38.49 87.34 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.55 -36.5 82.83 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.776 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.55 -36.36 82.39 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.713 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.19 -36.03 78.76 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.668 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.31 -28.14 68.99 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.61 0.243 . . . . 0.0 111.006 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -61.68 -15.78 43.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.001 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -56.43 -19.0 12.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.739 0.304 . . . . 0.0 110.85 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.434 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -60.98 -23.37 65.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.731 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.11 -38.56 89.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.468 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -64.69 -23.43 67.25 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.66 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 44' ' ' ALA . 97.0 m-20 54.55 37.13 27.4 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.435 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 53.86 36.78 25.0 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.456 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.3 tp -63.2 -39.34 94.34 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.42 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.12 22.69 1.08 Allowed 'General case' 0 N--CA 1.461 0.106 0 CA-C-O 120.81 0.338 . . . . 0.0 110.577 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.69 -37.06 82.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.65 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 52.6 p90 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.51 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.5 p -63.39 -24.13 67.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.699 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.49 -40.51 89.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.417 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.09 -36.28 83.06 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.577 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -60.63 -43.45 97.52 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.148 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 9' ' ' ASP . 91.1 mt -62.71 -37.5 86.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.398 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 94.3 m -70.14 -39.19 75.55 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.969 -0.293 . . . . 0.0 111.401 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.53 -14.68 62.18 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.669 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 46.4 p-10 -67.79 -18.39 64.84 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.414 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -61.72 -38.07 86.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.456 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.12 -36.7 85.1 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.736 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.08 -39.23 94.09 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.512 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.09 -37.13 86.33 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.555 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -61.69 -37.8 85.47 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.348 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.06 -39.16 91.45 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.216 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -70.19 -20.77 63.1 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.835 0.35 . . . . 0.0 110.107 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -97.18 8.75 43.9 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.444 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.25 -38.04 87.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.397 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.1 -27.36 68.87 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.431 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.43 -26.77 68.68 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.5 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.06 -38.58 89.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.354 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.31 -36.33 83.32 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.583 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.76 80.55 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.644 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -84.24 -18.62 35.89 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.879 0.371 . . . . 0.0 110.443 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.77 -41.37 97.97 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.399 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -71.28 -19.54 62.33 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.93 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.78 -38.42 88.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.8 mt -65.26 -32.9 74.8 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.296 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.42 -38.38 83.87 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.513 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.5 p -61.77 -34.3 75.62 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.501 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.92 -38.37 90.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.221 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 48.17 66.2 1.12 Allowed 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.422 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.646 ' CG ' ' H ' ' A' ' 34' ' ' ASP . 16.9 t-80 -97.08 -135.46 0.24 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.113 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.646 ' H ' ' CG ' ' A' ' 33' ' ' HIS . 58.1 p-10 -157.95 150.22 22.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.706 0.288 . . . . 0.0 110.45 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -96.62 2.05 51.81 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.329 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -64.19 -28.99 70.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.736 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -60.23 -23.61 64.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.799 0.333 . . . . 0.0 110.851 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.83 -27.27 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.355 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.43 -29.71 70.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.408 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.29 -24.38 67.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.71 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.13 -35.93 80.25 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.37 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -61.52 -38.18 86.45 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.411 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.72 -35.86 81.1 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.2 -23.59 56.19 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.86 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.67 -32.59 74.32 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.4 -36.2 79.64 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.126 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.8 t0 62.12 35.6 15.63 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -126.27 7.65 7.14 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.984 0.421 . . . . 0.0 110.169 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.526 ' O ' ' CE2' ' A' ' 52' ' ' TYR . 60.7 tp -63.12 -38.32 90.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.487 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.516 ' O ' ' CD1' ' A' ' 52' ' ' TYR . . . -60.45 -36.73 78.92 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.853 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 67.7 t0 -63.08 -37.18 86.19 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.526 ' CE2' ' O ' ' A' ' 49' ' ' LEU . 60.7 m-85 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.087 -0.959 . . . . 0.0 110.279 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -64.95 -21.36 66.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.75 0.309 . . . . 0.0 110.789 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.44 17.96 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.007 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -61.96 -21.51 64.87 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.672 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.15 -39.61 93.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' O ' ' CG ' ' A' ' 9' ' ' ASP . 94.5 mt -63.96 -35.3 80.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.422 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.7 m -63.27 -37.53 87.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.746 -0.206 . . . . 0.0 111.331 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -19.37 50.3 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.392 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 52.4 p-10 -62.45 -17.58 59.74 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.306 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.514 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -60.85 -36.31 78.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.7 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -63.04 -35.86 81.64 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.551 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.41 -36.38 83.55 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.343 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.88 -36.97 85.68 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.623 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.11 -37.29 82.23 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.515 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.11 -36.17 80.94 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.489 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.06 -38.17 85.23 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.085 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.26 -36.13 81.1 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.445 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -61.56 -37.65 84.6 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.55 79.46 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.495 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.85 -36.55 79.43 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.38 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.74 -36.86 82.22 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.11 -37.74 83.82 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.245 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.64 -36.64 79.16 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.468 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.11 -37.73 86.23 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.306 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.64 -37.47 81.6 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.479 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.91 -36.05 76.17 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.628 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -59.87 -38.6 82.63 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.781 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.597 ' N ' HD12 ' A' ' 28' ' ' LEU . 8.3 mp -63.64 -36.4 83.72 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.626 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -65.59 -24.46 67.08 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.749 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.6 m -62.32 -37.57 86.08 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.501 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.49 -36.05 82.48 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.498 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.3 mmm-85 -72.34 149.84 44.03 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 57.67 34.28 24.29 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.489 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -89.23 107.08 18.85 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.919 0.39 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -99.58 7.83 44.94 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.227 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 53.96 34.58 19.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.615 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -65.15 -35.21 80.38 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.378 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -63.02 -36.45 83.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.548 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.35 -35.17 79.51 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.927 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.38 -22.74 66.37 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.174 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.69 -36.29 80.48 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.757 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -63.15 -36.25 82.99 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.726 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -66.35 -21.74 66.25 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.646 0.26 . . . . 0.0 110.87 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.444 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -60.77 -24.71 65.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.801 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.18 -38.2 88.16 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.413 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.61 -27.98 69.58 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.862 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 44' ' ' ALA . 97.6 m-20 54.93 37.33 28.58 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.49 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.0 mttp 54.38 38.19 29.04 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.663 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.3 mt 56.23 29.78 15.44 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.279 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.63 -33.97 74.85 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.808 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.54 -36.45 78.45 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.724 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.506 ' OXT' ' CD1' ' A' ' 52' ' ' TYR . 55.2 p90 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.615 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.493 ' C ' ' H ' ' A' ' 4' ' ' GLU . 86.4 p -70.28 -18.46 63.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.809 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.2 t 61.93 -0.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.422 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.493 ' H ' ' C ' ' A' ' 2' ' ' SER . 88.6 tt0 -62.57 -38.78 91.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.729 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.01 -44.39 97.49 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.049 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.23 -33.69 76.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.564 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 99.9 m -63.36 -41.4 98.83 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.097 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.47 -18.59 51.71 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.946 0.403 . . . . 0.0 110.297 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.41 -36.27 83.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.751 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.17 -26.07 68.64 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.281 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.55 -27.5 68.49 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.984 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.596 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.7 mp -63.01 -23.1 67.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.656 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -55.58 -20.9 14.95 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.232 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.6 -38.04 86.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.476 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.52 -28.13 68.31 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.278 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -61.22 -37.81 84.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -61.97 -36.82 82.58 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.626 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -63.69 -35.28 80.03 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.623 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.41 -24.2 67.27 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.507 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.15 -24.54 67.23 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.324 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.04 -37.61 85.59 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.415 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.12 -35.73 79.6 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.959 -0.297 . . . . 0.0 110.638 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.35 -25.83 67.41 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.462 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.33 -38.17 88.45 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.25 -34.88 79.13 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.604 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.1 -27.43 69.09 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.9 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -62.49 -35.87 80.72 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.695 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.15 -39.13 91.57 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.414 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.79 -29.54 69.52 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 121.165 -0.214 . . . . 0.0 111.43 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.0 p -63.95 -21.58 66.54 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.117 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.33 -36.7 83.02 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.604 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 55.14 83.42 0.09 Allowed 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.635 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -156.97 170.61 22.12 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.409 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -129.37 25.23 5.47 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.731 0.301 . . . . 0.0 110.503 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -89.12 -0.66 57.62 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.727 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.73 -37.52 84.52 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.669 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -65.34 -14.96 62.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.77 0.319 . . . . 0.0 111.254 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.33 -36.1 75.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.444 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -58.6 -19.24 36.83 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.419 -0.513 . . . . 0.0 110.521 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.56 -24.34 67.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.169 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.68 -34.61 77.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.7 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 -60.55 -37.76 82.3 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.738 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -68.32 -22.89 64.68 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.191 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.83 -28.94 69.18 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.011 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.637 ' N ' HD12 ' A' ' 45' ' ' LEU . 7.8 mp -62.67 -37.07 84.98 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.976 -0.289 . . . . 0.0 110.715 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.46 -36.5 82.64 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.663 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.74 -36.61 81.5 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.598 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.63 -38.81 89.02 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.465 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.3 mt -82.32 -12.04 58.24 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.774 0.321 . . . . 0.0 110.526 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.99 -24.19 67.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.497 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.527 ' OD1' ' CD1' ' A' ' 52' ' ' TYR . 45.9 p-10 -62.46 -36.93 83.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.951 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CD1' ' OD1' ' A' ' 51' ' ' ASP . 92.9 m-85 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.444 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -73.3 -11.21 60.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.935 0.398 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.2 -39.46 85.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.337 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -63.06 -21.84 66.44 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.534 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -61.98 -39.36 91.9 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.191 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.96 -36.07 82.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.569 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.1 m -63.6 -40.03 95.88 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.67 -22.01 66.87 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.906 0.384 . . . . 0.0 110.119 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 63.9 t0 -62.5 -35.94 80.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.401 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.24 81.04 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.66 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.29 -38.0 87.66 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.023 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.41 HD23 HD12 ' A' ' 15' ' ' LEU . 86.4 mt -64.79 -35.38 80.92 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.319 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -63.02 -36.94 85.23 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.668 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.421 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 89.6 mmt-85 -66.19 -25.73 67.07 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.028 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD12 HD23 ' A' ' 12' ' ' LEU . 91.4 mt -76.26 -16.0 59.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.392 . . . . 0.0 110.155 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -61.1 -37.93 84.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.54 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 53.5 p30 -82.39 3.59 27.36 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.745 0.307 . . . . 0.0 110.809 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.03 -37.65 85.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.009 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.24 -26.79 67.98 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.77 -24.13 67.57 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.118 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.92 -37.88 86.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.006 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.08 -35.99 80.34 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.409 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.5 77.44 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.451 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -64.53 -18.64 65.01 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.798 0.333 . . . . 0.0 111.128 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.7 tp -58.21 -35.45 71.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.475 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -56.79 -18.61 13.41 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.646 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -62.52 -36.87 83.96 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.54 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.3 mt -82.55 -14.71 54.43 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.787 0.327 . . . . 0.0 110.544 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 32' ' ' ARG . 88.1 tttt -61.26 -38.0 85.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.475 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.8 p -61.57 -33.52 74.01 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.33 -38.53 91.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.587 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 29' ' ' LYS . 80.1 ttt180 -137.53 131.15 31.34 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.775 0.321 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.53 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 97.6 m-70 -62.35 -41.31 98.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.417 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 52.8 t0 51.96 32.85 10.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.105 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 33' ' ' HIS . 96.3 m-70 -117.01 15.8 15.08 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.831 0.348 . . . . 0.0 110.278 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -86.59 2.58 47.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.621 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -85.72 -15.31 42.61 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.802 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -61.98 -22.57 65.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.055 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -63.35 -22.2 66.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.339 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.05 -22.8 67.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.347 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.07 -36.68 82.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.59 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.14 -37.98 89.37 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.441 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -70.28 -33.51 71.66 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.34 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.07 79.89 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -177.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 pp -72.0 -27.13 62.54 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.209 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -67.96 -28.92 67.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.282 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -82.42 -6.35 59.23 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 65.0 tttp -60.55 -38.85 85.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.451 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -85.78 -17.08 36.79 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-O 120.824 0.345 . . . . 0.0 110.104 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.52 -28.08 69.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.659 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 48' ' ' LYS . 55.5 p30 -83.49 2.1 38.53 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.773 0.321 . . . . 0.0 110.569 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.1 t80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.581 179.858 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.9 p -81.79 -8.4 59.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.746 0.307 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.27 -41.17 90.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.097 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.438 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 24.7 pt-20 -66.19 -18.55 65.42 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.671 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.438 ' NZ ' ' OE2' ' A' ' 4' ' ' GLU . 45.7 mmtm -81.06 -166.13 1.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.122 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.6 mt 58.28 20.63 7.38 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.964 0.411 . . . . 0.0 110.288 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.2 m -66.87 -40.72 87.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.258 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.71 -21.73 62.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.94 0.4 . . . . 0.0 110.157 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.8 -24.22 64.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.519 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.8 -37.08 80.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.558 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.74 -36.69 84.72 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.467 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.57 -34.89 79.31 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.265 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.11 -36.15 82.63 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.746 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.433 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 83.3 mtp180 -62.7 -35.04 78.41 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.604 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.5 -24.16 65.55 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.05 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.88 -24.52 67.56 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.254 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 53.2 p30 -78.33 -1.44 33.22 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.983 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -67.17 -26.93 66.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.508 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.6 -23.69 67.17 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.488 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.92 -24.84 67.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.315 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -62.21 -36.19 81.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.514 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.25 -36.08 80.92 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.595 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.62 79.93 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.477 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.42 -35.88 80.63 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.54 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.73 -28.93 69.41 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.235 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.84 -38.01 86.63 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.462 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -63.08 -35.74 81.27 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.475 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.66 -29.32 69.86 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.632 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.48 -34.39 76.75 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.798 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.9 p -60.43 -29.43 69.0 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.783 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.42 -36.22 83.02 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.294 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 55.37 41.77 30.78 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.8 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.07 -47.48 85.71 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.725 -0.39 . . . . 0.0 109.968 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -62.99 142.14 58.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.087 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.619 ' ND1' ' N ' ' A' ' 36' ' ' ASP . 63.4 t-80 -156.0 172.86 17.67 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.328 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.619 ' N ' ' ND1' ' A' ' 35' ' ' HIS . 37.3 t0 54.78 33.54 19.88 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.411 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.61 -38.26 90.39 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.641 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -60.95 -38.6 86.46 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.464 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' OE1' ' OD2' ' A' ' 36' ' ' ASP . 98.6 mt-10 -65.63 -34.36 78.03 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.676 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.42 -16.41 54.86 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 110.652 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.11 -34.81 72.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.284 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -57.2 -24.55 55.25 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.838 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.97 -22.18 64.12 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.918 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.423 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -61.33 -22.61 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.675 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -75.66 -13.17 60.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.38 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.88 -27.28 68.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.711 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 44' ' ' ALA . 55.1 p30 -83.35 1.79 39.51 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.731 0.301 . . . . 0.0 110.602 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -61.29 -39.31 89.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.195 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.94 -35.82 81.94 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.47 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 62.51 29.58 17.07 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.539 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.413 ' O ' ' OXT' ' A' ' 52' ' ' TYR . 56.5 p30 -87.7 4.1 45.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.517 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.413 ' OXT' ' O ' ' A' ' 51' ' ' ASP . 98.1 m-85 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.729 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -62.38 -37.39 85.57 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.192 -0.203 . . . . 0.0 110.805 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -132.66 -0.02 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-O 120.776 0.322 . . . . 0.0 110.507 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.38 -30.12 70.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.659 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -61.81 -39.73 92.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.737 0.303 . . . . 0.0 110.454 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.81 -39.09 93.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.424 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.7 p -70.75 -26.36 63.33 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.778 0.323 . . . . 0.0 111.209 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -18.16 41.2 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.679 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 59.1 p30 -66.33 -17.66 64.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.489 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.518 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -61.31 -36.57 80.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.757 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.06 -36.58 84.04 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.704 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.69 -36.54 84.19 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.541 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.15 -37.11 86.26 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.808 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.64 -36.74 83.79 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.652 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.11 -38.71 89.95 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.139 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -70.16 -19.96 63.17 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.938 0.399 . . . . 0.0 109.961 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -90.96 1.79 56.76 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.543 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.32 -38.08 88.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.404 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.47 80.32 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.615 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.03 -30.43 70.3 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.483 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.9 -38.07 87.01 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.52 -35.79 80.53 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.759 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.66 79.49 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.26 -36.23 81.4 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.643 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.34 -35.41 80.3 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.504 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.39 -24.99 67.83 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.797 0.332 . . . . 0.0 110.628 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -61.1 -38.08 85.03 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.95 -28.68 68.48 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.485 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.01 -38.36 85.81 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.491 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.4 p -61.69 -34.95 76.67 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.843 0.354 . . . . 0.0 110.493 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.28 -36.18 82.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.733 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 54.97 40.9 32.21 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.887 0.375 . . . . 0.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -60.43 -46.68 89.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.657 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -88.95 105.77 17.98 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.717 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -142.4 -21.96 0.68 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.573 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.19 -35.93 80.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -61.3 -34.4 75.16 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.59 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.34 -36.69 82.98 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.668 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.65 -35.68 80.4 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.955 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.17 -23.8 66.81 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.728 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.86 -26.06 67.11 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.709 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -62.19 -15.59 47.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -56.04 -18.15 8.78 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.321 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.41 76.66 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.138 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.616 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.2 mm? -63.13 -35.58 80.76 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.511 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -61.92 -35.33 78.06 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.792 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 49' ' ' LEU . 98.1 m-20 -61.02 -36.49 79.66 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.664 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 12.1 tptp 76.38 -15.98 0.66 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.876 0.369 . . . . 0.0 110.277 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.409 ' H ' ' C ' ' A' ' 47' ' ' ASP . 96.5 mt -64.71 -34.62 78.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.747 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.31 -25.83 67.39 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.971 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.24 -36.92 81.28 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.565 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 93.7 t80 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.484 179.883 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.526 -1.429 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.2 p -63.61 -23.45 67.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.64 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -58.48 -31.2 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.517 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.77 -37.72 87.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -68.96 -163.04 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.582 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 9' ' ' ASP . 88.1 mt -86.3 1.6 50.38 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-O 120.801 0.334 . . . . 0.0 110.564 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.5 m -61.87 -37.51 84.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.292 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.444 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -59.92 -19.05 49.58 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.581 -178.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 51.5 p-10 -65.05 -18.52 65.37 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.959 -0.697 . . . . 0.0 110.508 -179.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -62.12 -38.73 90.03 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.065 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 8' ' ' ALA . 60.0 mp0 -64.32 -36.43 84.11 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.701 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.616 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.7 mp -62.75 -36.69 83.86 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.622 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.84 -37.09 86.08 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.652 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.404 HH21 ' HD3' ' A' ' 14' ' ' ARG . 37.8 ttp-105 -61.32 -38.66 87.67 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.774 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.71 -39.56 94.42 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -68.49 -23.67 64.59 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.341 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -96.12 20.55 10.05 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.437 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -63.82 -19.3 64.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.55 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.11 -36.45 79.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.88 -26.58 68.24 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.491 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -38.13 87.66 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.373 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.58 -37.75 87.4 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.373 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.29 79.3 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.512 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.15 -36.24 81.23 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.599 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.02 -38.6 89.27 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.404 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.22 -36.17 81.16 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.744 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -60.94 -37.74 83.39 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.553 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.99 -38.82 90.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.402 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.0 -36.37 81.33 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.657 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.3 t -61.06 -38.94 87.99 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.744 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.12 -35.79 79.8 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.708 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.42 ' NH2' ' OE2' ' A' ' 41' ' ' GLU . 99.5 mtt180 55.51 36.65 27.58 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.953 0.406 . . . . 0.0 110.413 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -60.89 -46.04 92.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.766 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.8 139.35 57.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -62.18 -38.0 87.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.253 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.25 -36.5 77.92 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.943 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.22 -34.07 75.77 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.141 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -67.51 -23.75 65.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.559 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.81 -37.07 83.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.565 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.15 -34.84 74.11 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.519 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' OE2' ' NH2' ' A' ' 32' ' ' ARG . 98.9 mt-10 -61.2 -34.51 75.2 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.34 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -61.02 -39.41 89.64 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.614 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.43 -37.67 88.19 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.79 -24.28 63.98 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.198 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.7 mt -76.54 -14.34 60.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.759 0.314 . . . . 0.0 110.326 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.17 -37.91 87.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.483 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.62 -36.3 80.33 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.705 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 54.91 38.08 29.78 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.58 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -82.53 6.0 18.96 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.848 0.356 . . . . 0.0 110.312 179.801 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.474 ' N ' HD12 ' A' ' 49' ' ' LEU . . . -61.22 -37.15 82.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.743 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -84.77 2.74 40.82 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 120.852 0.358 . . . . 0.0 110.548 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 90.8 t80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.478 179.904 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 m -62.44 -37.58 86.42 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.55 -40.15 87.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.441 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.63 -37.22 85.48 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.802 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -62.35 -39.71 94.01 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.612 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.453 HD23 ' OD2' ' A' ' 9' ' ' ASP . 89.1 mt -85.32 -11.26 55.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.648 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.5 m -65.61 -40.93 93.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.61 -17.96 52.66 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.839 0.352 . . . . 0.0 110.069 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.453 ' OD2' HD23 ' A' ' 6' ' ' LEU . 98.0 m-20 -65.5 -27.58 68.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.527 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.24 -36.26 79.49 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.733 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.84 -37.17 85.76 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.806 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.64 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.7 mp -62.91 -36.85 84.74 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.591 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.91 -37.18 86.46 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.665 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -60.83 -38.78 86.64 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.471 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.78 -35.95 81.51 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.503 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.83 -38.3 84.98 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.415 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.46 -36.19 79.73 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.479 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.26 -34.7 78.23 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.61 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.91 -23.82 66.57 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.453 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.02 -25.53 67.71 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.246 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.21 -37.83 86.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.421 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.45 -34.4 76.72 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.645 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.66 -33.54 72.97 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.753 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.69 -21.57 64.57 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.699 0.285 . . . . 0.0 110.818 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.87 -19.3 64.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.652 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -57.76 -18.83 23.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.447 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -62.15 -36.28 81.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.78 -35.3 80.14 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.423 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 32' ' ' ARG . 98.8 mttt -64.67 -26.3 68.32 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.024 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.5 m -62.52 -26.15 68.4 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.694 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.03 -36.53 81.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.129 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' A' ' 29' ' ' LYS . 99.8 mtt180 -129.26 147.08 51.06 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.821 0.343 . . . . 0.0 110.748 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -101.27 7.65 42.82 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.323 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.29 141.35 58.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.501 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -99.5 7.97 44.91 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.902 0.382 . . . . 0.0 110.176 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.24 -35.5 79.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.646 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -64.41 -25.56 68.07 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.728 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -60.94 -39.18 88.5 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.314 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.21 -28.47 69.4 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.74 0.305 . . . . 0.0 110.844 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.79 -25.46 67.5 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.734 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.25 -35.49 79.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.605 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -61.42 -38.3 86.65 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.647 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.9 -23.46 65.11 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.614 0.245 . . . . 0.0 111.081 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.39 -24.62 66.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.84 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.7 mt -79.32 -11.87 59.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.347 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.31 -38.3 88.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.479 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 47' ' ' ASP . 67.1 t0 -61.75 -37.59 84.82 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.583 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.4 tttp 49.87 30.65 4.04 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 110.182 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.6 tp -62.56 -39.44 93.67 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.452 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 50.87 26.36 2.59 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.85 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 52.25 39.82 27.81 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.596 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.303 -179.763 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 5' ' ' LYS . 47.9 t -61.7 -38.9 89.57 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.167 -0.213 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.6 p -52.33 -24.55 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.21 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.34 -37.24 84.88 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.363 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 2' ' ' SER . 62.4 pttt -157.15 175.61 13.83 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.945 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.7 mt 50.53 26.03 2.22 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.507 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -135.2 -64.18 0.66 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.382 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.17 -17.72 62.69 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.76 -36.24 80.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.582 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.06 80.78 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.603 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.43 -36.76 84.8 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.429 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.35 -28.53 67.21 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.245 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -61.73 -37.44 84.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.536 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -61.14 -37.99 84.83 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.376 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.9 -35.07 79.47 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.457 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.4 -29.71 70.96 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.824 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -61.79 -36.62 81.62 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.695 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.34 -37.59 86.24 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.416 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.56 -24.15 67.38 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.666 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.32 -23.89 67.02 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.511 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.19 -36.28 81.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.619 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.18 -37.58 85.8 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.418 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.5 77.15 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.567 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.22 -27.86 69.35 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.599 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.92 -38.76 89.6 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.425 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.77 -38.48 88.19 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.288 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -61.89 -38.27 87.71 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.697 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.24 -36.95 85.35 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.652 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.92 -38.38 88.18 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.947 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.6 p -63.04 -24.39 67.89 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.811 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.03 -38.01 89.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.53 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.27 -39.34 92.59 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.568 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -62.54 -39.87 94.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.445 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.58 140.21 58.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.375 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -145.83 22.87 1.41 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.526 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -86.0 3.15 43.47 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.607 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.65 -36.99 84.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.739 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.61 -38.62 88.27 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.532 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.22 -30.35 71.23 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.565 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.37 -25.74 68.08 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.526 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.43 -28.25 69.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.582 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -68.36 -23.9 64.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.788 0.328 . . . . 0.0 110.193 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -72.6 -18.29 61.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.44 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.97 -24.13 66.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.506 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.0 -26.98 67.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.371 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.63 -38.2 86.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.578 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.46 -36.79 81.41 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.531 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 65.0 tttp -61.58 -37.83 85.32 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.39 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.23 -34.69 75.53 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.56 0.219 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.13 -22.95 61.69 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 52' ' ' TYR . 58.0 p-10 -61.73 -24.13 66.6 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.522 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.539 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 72.0 m-85 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.436 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -61.57 -39.29 90.59 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.32 -40.66 89.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.424 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.24 -36.29 83.16 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.598 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.77 -38.91 89.77 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.844 0.354 . . . . 0.0 110.495 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.446 ' O ' ' CG ' ' A' ' 9' ' ' ASP . 94.7 mt -62.15 -37.16 84.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.568 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.6 m -69.67 -39.14 77.19 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.414 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.01 -14.89 62.5 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.644 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 44.5 p-10 -67.47 -17.51 64.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.475 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.509 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -60.95 -37.99 84.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.18 -36.85 85.5 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.476 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.69 -35.51 81.29 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.175 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.59 -35.83 81.79 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.467 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -60.62 -38.0 83.3 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.43 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.96 -39.33 91.77 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.629 -0.428 . . . . 0.0 109.959 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.9 -37.73 85.69 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.368 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 64.0 t-20 -60.46 -36.82 79.18 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.652 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -62.03 -36.7 82.35 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.345 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.62 -23.28 66.98 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.554 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.61 -26.35 67.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.469 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.414 ' OE2' ' OE1' ' A' ' 24' ' ' GLU . 52.8 tp10 -61.71 -38.31 87.41 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.45 -34.79 78.52 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.569 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.53 -27.07 68.34 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.005 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.414 ' OE1' ' OE2' ' A' ' 21' ' ' GLU . 98.8 mt-10 -62.18 -36.24 81.29 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.547 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.648 ' N ' HD12 ' A' ' 25' ' ' LEU . 7.9 mp -62.48 -36.15 81.57 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.487 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.47 -37.6 84.2 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -61.98 -36.35 81.2 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.582 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.48 -29.5 70.17 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.319 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.14 -38.39 86.24 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.618 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.8 t -61.22 -38.94 88.4 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.617 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.25 -35.04 77.74 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.758 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 56.48 41.32 28.91 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.903 0.382 . . . . 0.0 110.476 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -60.27 -46.33 90.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.347 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -158.32 161.9 37.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.697 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -70.22 -22.06 62.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.386 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 56.0 39.73 30.47 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.034 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.57 -38.0 88.38 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.353 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.03 -36.82 82.73 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.891 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.21 -29.24 70.03 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.703 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.46 -18.69 65.51 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.692 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -62.89 -19.2 63.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.245 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -58.68 -23.74 59.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.455 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -68.81 -21.89 64.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.975 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -24.4 65.55 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.742 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.59 -32.23 73.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.122 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.77 -36.2 80.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.935 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.18 -37.08 81.67 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.65 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -62.48 -36.66 83.2 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.459 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.37 -35.73 81.37 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.38 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 61.33 29.37 18.56 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 110.656 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 67.5 t0 -62.24 -37.74 86.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.623 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 88.7 t80 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.411 -179.934 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.471 -1.451 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 m 55.26 31.39 16.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.688 0.28 . . . . 0.0 110.631 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.57 -40.11 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -65.09 -21.43 66.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.699 0.285 . . . . 0.0 110.938 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -85.69 -167.8 1.98 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.234 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 mt 56.85 27.85 13.59 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.948 0.404 . . . . 0.0 110.173 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.1 m -67.24 -40.09 86.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.322 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.31 -23.06 66.91 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.477 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.44 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 97.7 m-20 -63.19 -36.65 84.35 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.773 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.21 -25.56 67.87 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.94 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.14 -38.28 88.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.06 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.624 ' N ' HD12 ' A' ' 12' ' ' LEU . 8.0 mp -62.45 -38.96 91.81 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.173 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 9' ' ' ASP . 26.2 mp0 -70.49 -24.84 62.92 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.705 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -60.58 -37.71 82.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.488 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.609 ' N ' HD12 ' A' ' 15' ' ' LEU . 8.0 mp -61.92 -37.68 85.59 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.504 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.82 -36.86 84.59 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.45 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.36 -36.79 83.35 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.585 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.39 -38.4 89.48 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.52 -23.0 67.13 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.455 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.07 -17.63 34.59 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.805 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.1 -38.3 90.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.749 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -68.98 -19.15 64.14 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.921 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.64 81.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.672 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -62.03 -39.2 91.51 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.106 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.94 -39.09 93.36 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.323 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.24 -36.67 84.42 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.5 mmm-85 -63.17 -36.73 84.59 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.397 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.4 mt -82.28 -15.13 54.08 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.774 0.321 . . . . 0.0 110.454 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.59 -38.33 87.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.466 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.4 p -61.6 -34.75 76.18 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.476 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.23 -36.73 84.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.586 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 54.54 37.37 27.81 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 110.357 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -60.85 -46.59 89.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.848 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.443 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 56.6 p-10 -75.69 143.48 42.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.999 0.428 . . . . 0.0 111.169 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -80.82 -5.54 57.38 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.535 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.5 t0 -59.81 -35.81 75.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.995 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.66 -36.22 75.99 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.987 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.36 -36.78 83.32 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.631 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.22 -21.66 66.31 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.77 0.319 . . . . 0.0 110.8 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.19 -19.48 61.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -58.9 -19.93 46.83 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.487 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -61.62 -37.8 85.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.493 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -68.39 -22.9 64.62 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.662 0.268 . . . . 0.0 111.006 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -25.95 67.3 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.863 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.591 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.0 mm? -63.13 -37.05 85.69 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.567 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -63.2 -35.86 81.72 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.553 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.65 -36.6 81.27 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.02 -37.71 85.9 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.785 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.6 mt -76.02 -18.25 59.34 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.835 0.35 . . . . 0.0 110.164 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 58.65 29.0 17.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.474 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -88.16 4.47 45.43 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.53 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.662 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t -61.58 -39.49 91.35 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.82 -40.56 89.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.607 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.04 -36.47 84.09 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.078 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -62.27 -39.15 91.95 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.202 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.1 mt 55.9 30.73 16.49 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.828 0.347 . . . . 0.0 110.222 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.3 m -64.71 -40.38 95.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.46 -18.95 62.28 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.901 0.381 . . . . 0.0 110.204 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 64.9 t0 -62.13 -36.44 81.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.638 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.23 -29.99 70.17 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.503 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.87 -37.66 85.35 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.561 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.12 -36.63 84.25 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.394 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.79 -36.22 83.16 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.581 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -64.07 -28.81 70.04 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.671 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.65 -27.46 68.39 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.437 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.25 -25.95 68.28 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.422 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -61.86 -36.52 81.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.548 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.43 -37.51 86.12 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.362 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.84 -25.31 67.45 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.467 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.46 -24.59 67.53 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.3 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.02 -37.63 85.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.398 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.16 -35.85 80.07 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.679 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -27.0 68.3 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.391 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.99 -37.44 84.83 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.265 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.26 -34.19 77.14 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.569 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.59 -26.84 68.87 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.969 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.17 -36.27 81.34 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.567 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.403 HD12 ' OE1' ' A' ' 31' ' ' GLU . 60.7 tp -62.22 -38.61 89.86 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.296 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -61.41 -39.09 89.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.699 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.9 p -62.92 -33.8 76.09 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.583 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 33' ' ' HIS . 98.9 mt-10 -63.0 -36.19 82.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.712 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 58.55 -76.61 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.712 0.291 . . . . 0.0 110.625 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 31' ' ' GLU . 64.7 t-80 -93.35 -105.24 0.13 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.457 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' N ' ' ND1' ' A' ' 33' ' ' HIS . 53.5 t0 50.59 46.42 25.61 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.891 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -101.08 7.88 43.13 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.484 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.0 t0 -62.28 -36.59 82.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.55 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.72 -33.98 74.98 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.349 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.1 -36.83 82.89 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.678 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.83 -35.96 81.65 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.6 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.28 -19.87 65.7 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.7 0.286 . . . . 0.0 110.785 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.21 -37.52 80.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.721 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -62.44 -36.33 82.07 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.529 ' CD ' ' N ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -66.12 -23.02 66.42 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.729 0.299 . . . . 0.0 110.838 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.432 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -60.74 -23.05 64.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.732 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.6 mt -64.76 -31.72 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.585 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.62 -36.32 80.41 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.847 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 44' ' ' ALA . 97.1 m-20 54.01 37.84 27.64 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.506 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.36 -38.38 86.78 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.758 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.64 -28.49 69.15 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.564 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.73 -25.92 67.73 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.542 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 52' ' ' TYR . 98.3 m-20 -61.66 -36.9 82.14 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.503 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.519 ' CG ' ' OXT' ' A' ' 52' ' ' TYR . 93.1 t80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.422 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 m 55.13 32.23 17.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 110.637 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.39 -40.45 89.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.624 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.69 -37.59 87.93 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.911 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.1 -39.57 95.08 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.414 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.74 -36.27 83.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.7 m -63.93 -41.2 97.7 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.88 -21.36 62.41 Favored 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -77.45 -16.64 58.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.612 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.39 -36.59 78.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.516 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -60.18 -25.38 65.52 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.753 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -80.26 -16.61 54.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.26 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.77 -37.21 85.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.656 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -62.68 -36.39 82.76 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.746 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.86 -39.0 90.34 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.403 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.5 -38.41 87.22 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.348 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.12 -36.57 82.16 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.637 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.28 -34.65 78.15 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.484 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.9 -23.4 66.3 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.609 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.26 -27.2 68.29 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.484 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.12 -35.29 79.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.489 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.49 -35.1 78.28 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.752 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.26 -26.93 68.1 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.766 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.54 -25.72 67.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.766 0.317 . . . . 0.0 110.459 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.92 -26.03 66.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.325 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.07 -36.13 80.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.964 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -62.11 -36.74 82.65 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.678 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.643 ' N ' HD12 ' A' ' 28' ' ' LEU . 7.7 mp -63.42 -36.21 82.98 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.462 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.76 -29.65 69.53 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.029 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.2 m -58.56 -16.21 14.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.592 0.234 . . . . 0.0 111.023 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -59.91 -18.71 46.98 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.679 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.4 ptt-85 -55.58 135.07 51.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.956 0.408 . . . . 0.0 110.518 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.496 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 56.0 p-80 -92.09 -12.94 31.65 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.086 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.91 -37.75 88.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.665 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.496 ' ND1' ' O ' ' A' ' 33' ' ' HIS . 77.2 m80 55.23 31.65 16.95 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.204 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -93.06 -3.41 54.32 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.78 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -88.73 -11.65 44.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.857 0.36 . . . . 0.0 110.329 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -61.45 -23.36 65.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.217 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.63 -35.8 80.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.509 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.34 -21.96 66.58 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.703 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.01 -37.04 81.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.423 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -60.61 -38.13 83.7 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -62.18 -36.74 82.81 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.87 -14.86 10.14 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.858 0.361 . . . . 0.0 111.056 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.9 tp -57.92 -37.36 73.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -61.5 -7.54 3.28 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.362 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.6 t0 56.97 39.75 29.2 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 53.89 37.38 26.43 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.686 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.4 mt 55.8 28.35 12.21 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.495 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.39 -21.4 66.62 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.513 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' TYR . 55.8 p30 -85.17 7.79 20.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.717 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 51' ' ' ASP . 52.2 p90 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.992 -1.004 . . . . 0.0 111.152 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p -66.02 -20.77 66.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.416 . . . . 0.0 110.203 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.6 m 34.01 35.32 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.139 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.86 -36.65 83.96 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.685 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.42 -44.49 95.72 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.147 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 tp -62.95 -38.61 91.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.348 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.2 p -69.55 -31.19 69.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.85 0.357 . . . . 0.0 111.127 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.72 -18.46 54.52 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.264 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.37 -35.03 76.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.722 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.22 -37.29 79.85 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.783 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.59 -36.7 84.68 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.582 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.4 -35.26 80.32 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.06 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -63.77 -35.05 79.31 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.009 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.6 mmm-85 -60.59 -36.42 78.49 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.442 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.6 tp -61.47 -38.89 88.88 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.553 -0.459 . . . . 0.0 109.99 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.52 -38.09 86.13 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.338 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 63.4 t-20 -60.28 -37.26 79.93 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.462 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.06 -35.46 80.31 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.422 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.47 -24.21 67.33 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.482 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.22 -24.74 67.4 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.333 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.37 -36.02 80.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.49 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.39 -37.45 85.79 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.468 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.42 -27.83 68.82 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.432 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.3 -37.89 87.27 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.371 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.81 -36.1 82.06 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.392 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.86 -38.17 87.26 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.458 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.8 -36.74 84.13 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.51 -39.07 92.32 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.475 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.51 -38.52 87.67 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.113 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.447 ' O ' ' CE1' ' A' ' 33' ' ' HIS . 91.9 p -61.78 -33.67 74.51 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.61 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.94 -36.48 83.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.676 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -69.38 130.96 44.01 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.251 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.447 ' CE1' ' O ' ' A' ' 30' ' ' SER . 48.3 m80 -137.35 167.46 21.55 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.184 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -75.14 -11.9 60.19 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.457 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -100.14 9.87 42.14 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.645 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 54.6 p-10 -85.17 5.1 31.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.939 0.4 . . . . 0.0 110.708 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -61.63 -38.23 86.88 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.354 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.61 -38.72 88.66 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.609 -0.437 . . . . 0.0 111.441 -178.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 58.9 mp0 -67.47 -29.16 68.54 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.292 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.87 -24.46 67.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.408 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.12 -36.08 80.69 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.39 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -63.02 -36.6 84.1 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.699 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.42 -37.14 84.7 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.578 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.68 -22.96 62.68 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.203 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 45' ' ' LEU . 96.9 mt -63.36 -35.24 79.75 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.393 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -64.15 -24.84 67.83 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.762 0.315 . . . . 0.0 110.358 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 47' ' ' ASP . 67.2 t0 -60.6 -37.16 80.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.464 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -72.57 148.77 44.61 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.1 mp 54.01 23.66 4.17 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 118.486 0.584 . . . . 0.0 109.909 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.56 -33.42 73.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.656 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.96 -37.26 79.08 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.929 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 93.4 t80 . . . . . 0 C--O 1.221 -0.4 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.561 179.843 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.379 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p -81.84 -8.47 59.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.798 0.332 . . . . 0.0 110.708 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.69 -40.0 86.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.241 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -64.07 -19.87 65.54 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.166 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -60.79 -43.83 97.59 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.634 -0.426 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.61 -29.69 69.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.438 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.7 m -64.64 -41.4 96.17 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.96 -19.19 52.31 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.926 0.393 . . . . 0.0 110.129 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.07 -36.55 83.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.552 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.48 -28.15 69.63 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.645 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -70.07 -24.37 63.23 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.691 0.282 . . . . 0.0 110.84 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.2 -16.4 63.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.709 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -52.35 -21.02 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.506 -179.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -61.29 -38.36 86.51 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.425 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.87 -35.34 80.31 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.256 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.0 -25.37 68.1 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.507 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -61.17 -36.34 79.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.36 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.47 -37.45 85.98 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.425 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.71 -25.5 67.46 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.555 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.97 -35.56 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.239 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.06 -35.75 79.58 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.41 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.63 -37.6 84.56 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.204 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.05 -34.95 75.68 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.503 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -63.95 -24.84 67.88 Favored 'General case' 0 C--N 1.334 -0.078 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.32 -35.26 76.89 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.485 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.427 ' C ' ' N ' ' A' ' 28' ' ' LEU . 80.7 mm-40 -59.9 -17.97 41.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.14 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.412 ' O ' ' OG ' ' A' ' 30' ' ' SER . 15.5 ptm180 -48.62 -17.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.033 0.444 . . . . 0.0 110.544 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 26' ' ' GLU . 59.6 tp -58.71 -36.48 74.32 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.281 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -57.51 -26.22 61.01 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.098 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 95.4 p -63.23 -22.81 67.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.898 0.38 . . . . 0.0 110.235 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.4 -37.19 84.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.406 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 56.8 38.89 29.78 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 110.534 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -60.56 -46.54 89.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.418 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -158.24 169.09 25.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.536 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 57.69 36.68 26.87 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.574 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.72 -35.49 78.21 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -59.7 -36.78 77.2 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.111 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.26 -38.29 86.16 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.02 -29.29 70.19 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.557 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.95 -24.21 67.77 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.624 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.87 -35.22 79.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.474 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -62.58 -36.4 82.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.75 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -67.06 -23.06 65.84 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.699 0.285 . . . . 0.0 111.07 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.13 65.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.719 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.2 mt -66.19 -29.06 69.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.349 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.93 -38.03 86.91 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.263 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.52 -36.76 81.46 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.649 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.67 -38.64 88.5 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.379 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.4 mt -81.75 -10.9 59.24 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.894 0.378 . . . . 0.0 110.301 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.06 -4.85 59.26 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.734 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.528 ' OD1' ' CD1' ' A' ' 52' ' ' TYR . 55.4 p30 -82.7 0.84 41.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.134 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.528 ' CD1' ' OD1' ' A' ' 51' ' ' ASP . 97.5 m-85 . . . . . 0 N--CA 1.467 0.414 0 CA-C-O 117.89 -1.052 . . . . 0.0 110.465 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.9 p -63.58 -23.23 67.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.551 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.2 t -63.52 -39.97 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.44 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.5 -37.32 85.55 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.701 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.01 -43.67 98.54 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.937 0.398 . . . . 0.0 110.047 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.5 -36.1 82.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.59 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.0 m -63.78 -40.32 96.39 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.011 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.54 -21.97 66.66 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.96 0.409 . . . . 0.0 110.076 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 62.5 t0 -63.35 -35.05 79.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.534 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.0 79.84 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.72 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.28 -36.75 84.72 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.409 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.4 -35.7 81.76 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.378 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.96 -35.91 82.25 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.787 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -63.98 -26.21 68.48 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.365 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.07 -38.85 90.37 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.097 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -70.35 -19.79 63.02 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -97.05 9.28 42.53 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.359 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.91 -37.78 85.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.446 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.8 -36.57 79.37 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.673 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.03 -36.74 80.36 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.594 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.12 -37.95 87.1 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.385 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 98.8 mt-10 -62.68 -36.12 81.87 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.667 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -25.15 67.78 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.614 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.91 -37.68 87.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.23 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.0 -40.7 94.54 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.934 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' A' ' 22' ' ' GLU . 59.3 mp0 -64.12 -36.49 84.22 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.411 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -63.11 -35.84 81.61 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.601 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 33' ' ' HIS . 60.3 tp -61.74 -39.16 90.58 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.509 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.23 -38.39 86.46 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.563 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.8 m -61.68 -36.55 81.19 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.653 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.08 -36.22 81.04 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.628 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 54.77 44.8 27.91 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.558 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.411 ' CE1' HD11 ' A' ' 28' ' ' LEU . 55.7 p-80 -70.43 -174.21 0.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.37 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -85.96 110.6 19.57 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.851 0.358 . . . . 0.0 110.418 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -70.24 -12.04 61.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.384 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -72.66 -10.19 59.5 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.79 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -62.75 -27.04 69.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.461 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -59.64 -22.26 61.62 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.48 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -66.22 -26.0 67.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.473 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.71 -23.83 67.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.443 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.1 -36.02 80.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.499 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.81 -36.68 83.96 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.555 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -62.91 -36.95 85.05 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.66 -21.8 61.01 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.223 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.6 -28.54 69.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.41 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.2 -28.82 69.42 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.623 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 50' ' ' ALA . 97.5 m-20 -64.52 -10.42 25.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.021 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -56.37 -21.67 26.29 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.432 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.62 -39.14 90.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.45 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . -150.87 150.6 31.09 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.84 -37.04 83.0 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 118.546 0.612 . . . . 0.0 110.718 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 91.1 t80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.327 -179.92 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.3 p -63.64 -23.21 67.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.765 0.316 . . . . 0.0 110.647 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.42 -40.38 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.535 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.58 -37.7 87.24 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.66 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt 54.98 32.73 18.68 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.352 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -99.72 0.12 41.17 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.806 0.336 . . . . 0.0 110.487 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 9' ' ' ASP . 84.8 m -63.64 132.85 52.41 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.162 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.34 86.07 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.704 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.413 ' H ' HG22 ' A' ' 7' ' ' THR . 98.0 m-20 -63.38 -35.15 79.45 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.25 -37.37 82.85 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.603 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.98 -37.03 85.91 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.678 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.94 -33.8 76.91 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.546 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -62.75 -35.18 78.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.098 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -59.98 -38.99 84.14 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.015 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.619 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.3 mm? -63.15 -37.95 89.23 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.48 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -69.65 -23.59 63.5 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.274 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -98.22 9.3 43.28 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.452 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.42 -37.82 87.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.38 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.13 -25.52 67.79 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.609 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.17 -26.21 68.2 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.438 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.61 -36.21 82.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.686 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -64.87 -21.31 66.78 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.862 0.363 . . . . 0.0 110.807 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.48 -20.16 59.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.016 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -59.38 -20.46 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.346 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.88 -27.96 67.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.272 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.78 -37.87 85.92 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.699 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.45 -37.05 84.4 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.674 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.8 mt -81.07 -15.3 56.39 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.822 0.344 . . . . 0.0 110.536 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.717 ' HZ1' ' HA ' ' A' ' 35' ' ' HIS . 65.1 tttm -62.46 -37.06 84.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.656 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.7 p -62.35 -21.05 65.0 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.575 0.226 . . . . 0.0 111.287 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -64.05 -21.58 66.58 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.435 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -124.76 149.12 47.66 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.409 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.41 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 58.6 t-80 -85.51 49.71 1.81 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.335 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.422 ' OD1' ' NZ ' ' A' ' 29' ' ' LYS . 57.0 p30 -90.43 11.15 22.48 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.724 0.297 . . . . 0.0 110.683 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.717 ' HA ' ' HZ1' ' A' ' 29' ' ' LYS . 97.2 m-70 -65.11 -25.56 67.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.591 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.5 -25.78 68.41 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.288 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -60.52 -37.54 81.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.335 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -61.83 -37.24 83.71 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.606 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.41 -36.52 84.02 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.326 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.3 -14.82 56.93 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.74 0.305 . . . . 0.0 110.811 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.3 -37.4 80.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.428 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -59.9 -25.11 64.84 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.672 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -62.95 -36.45 83.48 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.842 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.79 -20.99 54.93 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.014 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.12 -28.62 69.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.172 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -61.87 -38.02 86.71 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.941 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.8 t0 54.41 37.44 27.65 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 121.06 -0.256 . . . . 0.0 110.819 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 50.75 35.39 11.87 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.596 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.3 tp -63.63 -39.12 93.54 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.499 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.44 -37.26 82.88 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.699 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 52' ' ' TYR . 98.1 m-20 -61.6 -37.04 82.44 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.61 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 51' ' ' ASP . 90.3 t80 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.572 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 99.4 m . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 120.382 0.134 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.0 -21.41 60.0 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.299 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.25 -26.53 67.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.02 -36.63 80.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.776 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -63.36 -36.73 84.68 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.79 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.6 mp -62.62 -37.16 85.2 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.668 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.431 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 96.8 mt-30 -64.3 -36.86 85.5 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.768 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -62.28 -36.76 83.09 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.5 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.96 -36.71 84.39 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.333 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -74.23 -15.85 60.98 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.804 0.335 . . . . 0.0 110.131 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 13' ' ' GLN . 33.3 m120 -91.72 5.86 48.15 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.667 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -62.29 -20.5 64.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.33 -36.53 80.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.615 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.93 -24.43 67.86 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.989 -0.285 . . . . 0.0 111.094 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.77 -39.22 90.89 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.581 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 60.1 mp0 -64.52 -35.37 80.75 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.394 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.44 -23.46 66.89 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.494 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.57 -38.04 86.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.371 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.34 -38.54 89.88 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.384 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.32 -36.0 80.83 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.65 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -60.85 -38.05 84.2 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.58 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.59 -35.42 80.45 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.54 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -64.35 -28.32 69.62 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 121.039 -0.265 . . . . 0.0 111.267 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.5 p -62.88 -23.28 67.26 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.582 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.5 179.856 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 N--CA 1.463 0.218 0 CA-C-O 120.527 0.203 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -61.6 -37.85 85.4 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.95 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -64.05 -34.96 79.2 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.286 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -22.84 66.2 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.447 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.13 -37.71 83.79 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.18 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -62.33 -37.67 86.53 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.179 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -67.59 -22.75 65.35 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.963 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -25.42 66.33 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.719 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.11 -29.67 70.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.275 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.513 -179.913 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.3 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.898 0.38 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.46 -18.39 51.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.147 0.498 . . . . 0.0 110.269 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.37 -36.9 81.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.467 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.82 -25.01 67.98 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.651 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -61.94 -37.12 83.53 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.728 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.628 ' N ' HD12 ' A' ' 12' ' ' LEU . 8.0 mp -62.27 -37.08 84.1 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.455 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.92 -36.91 85.49 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.665 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -62.69 -36.05 81.67 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.675 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.3 -28.04 68.38 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.504 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -66.24 -23.01 66.34 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.458 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.09 -36.56 82.07 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.574 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.01 -37.87 86.49 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.438 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.93 -25.6 67.69 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.37 -25.65 68.04 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.18 -37.79 86.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.375 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.46 -35.85 80.61 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.611 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.58 -26.64 68.09 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.453 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.21 -37.82 86.81 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.43 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.26 -28.95 69.11 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.388 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.82 -38.04 86.69 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.198 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -61.0 -38.19 85.17 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.26 -36.15 82.7 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.467 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -62.03 -36.93 83.07 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.572 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.3 t -61.15 -39.32 89.63 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.604 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 . . . . . 0 CA--C 1.529 0.163 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.459 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.7 mttp . . . . . 0 C--O 1.232 0.153 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.42 -36.54 82.69 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.643 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -65.35 -27.97 68.96 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.92 -23.43 67.36 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.41 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.64 -37.34 83.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.254 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -61.44 -38.47 87.29 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.549 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -63.27 -37.35 86.9 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.686 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.75 -22.55 62.24 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.136 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -78.54 -12.5 60.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.86 0.362 . . . . 0.0 110.422 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.645 -179.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.9 m . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.464 0.173 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.72 -21.22 62.58 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.047 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -73.44 -17.35 61.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.596 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.62 -35.77 76.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.687 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -58.22 -26.14 62.49 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.982 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.08 -36.29 83.53 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.164 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.35 -35.08 79.71 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.669 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -59.58 -38.05 80.14 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.664 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.27 -34.82 78.5 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.23 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.33 -36.32 79.84 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -95.95 15.31 20.86 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.567 0.222 . . . . 0.0 111.065 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -59.94 -18.52 45.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 0.0 110.372 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.85 -23.13 66.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.36 -26.04 67.56 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.421 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 98.7 mt-10 -63.0 -35.86 81.64 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.63 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -67.15 -26.02 66.45 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.147 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.08 80.94 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.896 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 59.9 mp0 -63.04 -36.14 82.58 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.352 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.93 -38.14 87.31 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.422 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.83 -32.6 72.93 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.783 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -59.91 -37.95 80.9 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.615 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.624 ' N ' HD12 ' A' ' 28' ' ' LEU . 8.1 mp -62.14 -37.18 84.19 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.522 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -61.45 -38.12 86.06 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.38 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.5 m -61.5 -36.69 81.21 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.66 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.531 0.217 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.714 -179.793 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.5 tttp . . . . . 0 CA--C 1.529 0.164 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.55 -36.5 82.83 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.776 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.55 -36.36 82.39 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.713 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.19 -36.03 78.76 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.668 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.31 -28.14 68.99 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.61 0.243 . . . . 0.0 111.006 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -61.68 -15.78 43.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.001 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -56.43 -19.0 12.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.739 0.304 . . . . 0.0 110.85 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.98 -23.37 65.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.731 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.11 -38.56 89.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.468 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 . . . . . 0 C--N 1.333 -0.151 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.66 -179.802 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 94.3 m . . . . . 0 CA--C 1.531 0.248 0 CA-C-O 120.613 0.244 . . . . 0.0 111.401 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.53 -14.68 62.18 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.669 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 46.4 p-10 -67.79 -18.39 64.84 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.414 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -61.72 -38.07 86.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.456 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.12 -36.7 85.1 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.736 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.08 -39.23 94.09 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.512 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.09 -37.13 86.33 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.555 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -61.69 -37.8 85.47 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.348 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.06 -39.16 91.45 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.216 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -70.19 -20.77 63.1 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.835 0.35 . . . . 0.0 110.107 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -97.18 8.75 43.9 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.444 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.25 -38.04 87.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.397 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.1 -27.36 68.87 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.431 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.43 -26.77 68.68 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.5 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.06 -38.58 89.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.354 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.31 -36.33 83.32 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.583 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.76 80.55 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.644 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -84.24 -18.62 35.89 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.879 0.371 . . . . 0.0 110.443 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.77 -41.37 97.97 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.399 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -71.28 -19.54 62.33 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.93 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.78 -38.42 88.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.8 mt -65.26 -32.9 74.8 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.296 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.42 -38.38 83.87 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.513 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.5 p -61.77 -34.3 75.62 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.501 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.221 179.78 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.8 pttt . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.799 0.333 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.83 -27.27 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.355 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.43 -29.71 70.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.408 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.29 -24.38 67.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.71 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.13 -35.93 80.25 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.37 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -61.52 -38.18 86.45 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.411 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.72 -35.86 81.1 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.2 -23.59 56.19 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.86 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.67 -32.59 74.32 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 CA--C 1.532 0.269 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.126 179.822 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.7 m . . . . . 0 CA--C 1.533 0.298 0 CA-C-O 120.531 0.205 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -19.37 50.3 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.392 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 52.4 p-10 -62.45 -17.58 59.74 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.306 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.514 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -60.85 -36.31 78.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.7 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -63.04 -35.86 81.64 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.551 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.41 -36.38 83.55 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.343 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.88 -36.97 85.68 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.623 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.11 -37.29 82.23 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.515 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.11 -36.17 80.94 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.489 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.06 -38.17 85.23 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.085 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.26 -36.13 81.1 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.445 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -61.56 -37.65 84.6 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.55 79.46 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.495 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.85 -36.55 79.43 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.38 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.74 -36.86 82.22 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.11 -37.74 83.82 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.245 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.64 -36.64 79.16 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.468 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.11 -37.73 86.23 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.306 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.64 -37.47 81.6 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.479 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.91 -36.05 76.17 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.628 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -59.87 -38.6 82.63 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.781 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.597 ' N ' HD12 ' A' ' 28' ' ' LEU . 8.3 mp -63.64 -36.4 83.72 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.626 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -65.59 -24.46 67.08 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.749 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.6 m -62.32 -37.57 86.08 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.501 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 . . . . . 0 CA--C 1.529 0.163 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.498 179.932 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.4 pttt . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 120.738 0.304 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -63.02 -36.45 83.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.548 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.35 -35.17 79.51 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.927 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.38 -22.74 66.37 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.174 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.69 -36.29 80.48 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.757 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -63.15 -36.25 82.99 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.726 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -66.35 -21.74 66.25 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.646 0.26 . . . . 0.0 110.87 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.77 -24.71 65.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.801 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.18 -38.2 88.16 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.413 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 . . . . . 0 CA--C 1.528 0.134 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.862 -179.538 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 99.9 m . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 120.431 0.158 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.47 -18.59 51.71 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.946 0.403 . . . . 0.0 110.297 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.41 -36.27 83.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.751 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.17 -26.07 68.64 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.281 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.55 -27.5 68.49 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.984 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.596 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.7 mp -63.01 -23.1 67.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.656 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -55.58 -20.9 14.95 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.232 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.6 -38.04 86.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.476 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.52 -28.13 68.31 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.278 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -61.22 -37.81 84.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -61.97 -36.82 82.58 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.626 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -63.69 -35.28 80.03 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.623 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.41 -24.2 67.27 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.507 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.15 -24.54 67.23 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.324 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.04 -37.61 85.59 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.415 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.12 -35.73 79.6 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.959 -0.297 . . . . 0.0 110.638 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.35 -25.83 67.41 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.462 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.33 -38.17 88.45 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.25 -34.88 79.13 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.604 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.1 -27.43 69.09 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.9 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -62.49 -35.87 80.72 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.695 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.15 -39.13 91.57 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.414 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.79 -29.54 69.52 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 121.165 -0.214 . . . . 0.0 111.43 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.0 p -63.95 -21.58 66.54 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.117 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 C--N 1.329 -0.295 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.604 -179.784 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.77 0.319 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.33 -36.1 75.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.444 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -58.6 -19.24 36.83 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.419 -0.513 . . . . 0.0 110.521 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.56 -24.34 67.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.169 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.68 -34.61 77.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.7 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 -60.55 -37.76 82.3 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.738 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -68.32 -22.89 64.68 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.191 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.83 -28.94 69.18 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.011 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.637 ' N ' HD12 ' A' ' 45' ' ' LEU . 7.8 mp -62.67 -37.07 84.98 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.976 -0.289 . . . . 0.0 110.715 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.529 0.154 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.663 -179.856 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.1 m . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.435 0.16 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.67 -22.01 66.87 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.906 0.384 . . . . 0.0 110.119 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 63.9 t0 -62.5 -35.94 80.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.401 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.24 81.04 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.66 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.29 -38.0 87.66 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.023 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.41 HD23 HD12 ' A' ' 15' ' ' LEU . 86.4 mt -64.79 -35.38 80.92 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.319 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -63.02 -36.94 85.23 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.668 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.421 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 89.6 mmt-85 -66.19 -25.73 67.07 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.028 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.41 HD12 HD23 ' A' ' 12' ' ' LEU . 91.4 mt -76.26 -16.0 59.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.392 . . . . 0.0 110.155 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -61.1 -37.93 84.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.54 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 53.5 p30 -82.39 3.59 27.36 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.745 0.307 . . . . 0.0 110.809 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.03 -37.65 85.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.009 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.24 -26.79 67.98 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.77 -24.13 67.57 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.118 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.92 -37.88 86.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.006 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.08 -35.99 80.34 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.409 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.5 77.44 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.451 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -64.53 -18.64 65.01 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.798 0.333 . . . . 0.0 111.128 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.7 tp -58.21 -35.45 71.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.475 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -56.79 -18.61 13.41 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.646 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -62.52 -36.87 83.96 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.54 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.3 mt -82.55 -14.71 54.43 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.787 0.327 . . . . 0.0 110.544 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.26 -38.0 85.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.475 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.8 p -61.57 -33.52 74.01 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.587 179.862 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 120.595 0.236 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -61.98 -22.57 65.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.055 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -63.35 -22.2 66.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.339 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.05 -22.8 67.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.347 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.07 -36.68 82.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.59 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.14 -37.98 89.37 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.441 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -70.28 -33.51 71.66 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.34 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.07 79.89 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -177.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 pp -72.0 -27.13 62.54 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.209 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.282 179.485 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.2 m . . . . . 0 CA--C 1.532 0.264 0 CA-C-O 120.326 0.108 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.71 -21.73 62.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.94 0.4 . . . . 0.0 110.157 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.8 -24.22 64.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.519 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.8 -37.08 80.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.558 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.74 -36.69 84.72 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.467 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.57 -34.89 79.31 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.265 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.11 -36.15 82.63 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.746 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.433 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 83.3 mtp180 -62.7 -35.04 78.41 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.604 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.5 -24.16 65.55 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.05 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.88 -24.52 67.56 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.254 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 53.2 p30 -78.33 -1.44 33.22 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.983 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -67.17 -26.93 66.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.508 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.6 -23.69 67.17 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.488 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.92 -24.84 67.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.315 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -62.21 -36.19 81.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.514 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.25 -36.08 80.92 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.595 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.62 79.93 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.477 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.42 -35.88 80.63 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.54 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.73 -28.93 69.41 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.235 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.84 -38.01 86.63 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.462 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -63.08 -35.74 81.27 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.475 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.66 -29.32 69.86 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.632 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.48 -34.39 76.75 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.798 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.9 p -60.43 -29.43 69.0 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.783 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--N 1.329 -0.294 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.294 179.597 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 CA--C 1.533 0.292 0 N-CA-C 111.641 0.238 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -60.95 -38.6 86.46 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.464 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.63 -34.36 78.03 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.676 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.42 -16.41 54.86 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 110.652 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.11 -34.81 72.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.284 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -57.2 -24.55 55.25 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.838 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.97 -22.18 64.12 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.918 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.33 -22.61 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.675 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -75.66 -13.17 60.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.38 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.711 -179.816 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.7 p . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.778 0.323 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -18.16 41.2 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.679 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 59.1 p30 -66.33 -17.66 64.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.489 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.518 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -61.31 -36.57 80.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.757 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.06 -36.58 84.04 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.704 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.69 -36.54 84.19 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.541 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.15 -37.11 86.26 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.808 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.64 -36.74 83.79 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.652 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.11 -38.71 89.95 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.139 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -70.16 -19.96 63.17 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.938 0.399 . . . . 0.0 109.961 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -90.96 1.79 56.76 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.543 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.32 -38.08 88.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.404 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.47 80.32 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.615 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.03 -30.43 70.3 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.483 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.9 -38.07 87.01 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.52 -35.79 80.53 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.759 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.66 79.49 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.26 -36.23 81.4 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.643 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.34 -35.41 80.3 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.504 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.39 -24.99 67.83 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.797 0.332 . . . . 0.0 110.628 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -61.1 -38.08 85.03 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.95 -28.68 68.48 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.485 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.01 -38.36 85.81 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.491 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.4 p -61.69 -34.95 76.67 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.843 0.354 . . . . 0.0 110.493 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.733 179.868 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.577 0.227 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.34 -36.69 82.98 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.668 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.65 -35.68 80.4 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.955 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.17 -23.8 66.81 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.728 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.86 -26.06 67.11 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.709 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -62.19 -15.59 47.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -56.04 -18.15 8.78 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.321 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.41 76.66 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.138 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.616 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.2 mm? -63.13 -35.58 80.76 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.511 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 . . . . . 0 CA--C 1.529 0.167 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.792 -179.699 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.5 m . . . . . 0 CA--C 1.533 0.308 0 CA-C-O 120.645 0.259 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.444 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -59.92 -19.05 49.58 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.581 -178.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 51.5 p-10 -65.05 -18.52 65.37 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.959 -0.697 . . . . 0.0 110.508 -179.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -62.12 -38.73 90.03 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.065 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 8' ' ' ALA . 60.0 mp0 -64.32 -36.43 84.11 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.701 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.616 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.7 mp -62.75 -36.69 83.86 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.622 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.84 -37.09 86.08 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.652 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.404 HH21 ' HD3' ' A' ' 14' ' ' ARG . 37.8 ttp-105 -61.32 -38.66 87.67 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.774 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.71 -39.56 94.42 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -68.49 -23.67 64.59 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.341 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -96.12 20.55 10.05 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.437 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -63.82 -19.3 64.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.55 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.11 -36.45 79.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.88 -26.58 68.24 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.491 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -38.13 87.66 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.373 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.58 -37.75 87.4 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.373 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.29 79.3 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.512 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.15 -36.24 81.23 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.599 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.02 -38.6 89.27 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.404 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.22 -36.17 81.16 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.744 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -60.94 -37.74 83.39 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.553 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.99 -38.82 90.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.402 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.0 -36.37 81.33 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.657 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.3 t -61.06 -38.94 87.99 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.744 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.529 0.164 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.708 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 CA--C 1.528 0.121 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -67.51 -23.75 65.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.559 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.81 -37.07 83.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.565 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.15 -34.84 74.11 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.519 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.2 -34.51 75.2 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.34 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -61.02 -39.41 89.64 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.614 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.43 -37.67 88.19 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.79 -24.28 63.98 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.198 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.7 mt -76.54 -14.34 60.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.759 0.314 . . . . 0.0 110.326 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.483 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.5 m . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.504 0.193 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.61 -17.96 52.66 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.839 0.352 . . . . 0.0 110.069 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -65.5 -27.58 68.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.527 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.24 -36.26 79.49 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.733 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.84 -37.17 85.76 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.806 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.64 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.7 mp -62.91 -36.85 84.74 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.591 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.91 -37.18 86.46 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.665 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -60.83 -38.78 86.64 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.471 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.78 -35.95 81.51 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.503 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.83 -38.3 84.98 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.415 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.46 -36.19 79.73 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.479 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.26 -34.7 78.23 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.61 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.91 -23.82 66.57 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.453 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.02 -25.53 67.71 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.246 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.21 -37.83 86.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.421 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.45 -34.4 76.72 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.645 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.66 -33.54 72.97 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.753 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.69 -21.57 64.57 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.699 0.285 . . . . 0.0 110.818 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.87 -19.3 64.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.652 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -57.76 -18.83 23.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.447 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -62.15 -36.28 81.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.78 -35.3 80.14 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.423 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.67 -26.3 68.32 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.024 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.5 m -62.52 -26.15 68.4 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.694 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.129 -179.659 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 120.472 0.177 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -60.94 -39.18 88.5 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.314 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.21 -28.47 69.4 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.74 0.305 . . . . 0.0 110.844 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.79 -25.46 67.5 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.734 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.25 -35.49 79.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.605 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -61.42 -38.3 86.65 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.647 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.9 -23.46 65.11 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.614 0.245 . . . . 0.0 111.081 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.39 -24.62 66.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.84 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.7 mt -79.32 -11.87 59.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.347 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.479 -179.917 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.466 0.351 0 CA-C-O 120.855 0.36 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.17 -17.72 62.69 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.76 -36.24 80.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.582 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.06 80.78 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.603 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.43 -36.76 84.8 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.429 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.35 -28.53 67.21 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.245 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -61.73 -37.44 84.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.536 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -61.14 -37.99 84.83 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.376 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.9 -35.07 79.47 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.457 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.4 -29.71 70.96 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.824 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -61.79 -36.62 81.62 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.695 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.34 -37.59 86.24 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.416 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.56 -24.15 67.38 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.666 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.32 -23.89 67.02 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.511 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.19 -36.28 81.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.619 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.18 -37.58 85.8 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.418 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.5 77.15 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.567 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.22 -27.86 69.35 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.599 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.92 -38.76 89.6 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.425 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.77 -38.48 88.19 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.288 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -61.89 -38.27 87.71 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.697 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.24 -36.95 85.35 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.652 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.92 -38.38 88.18 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.947 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.6 p -63.04 -24.39 67.89 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.811 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.53 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 120.538 0.209 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.61 -38.62 88.27 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.532 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.22 -30.35 71.23 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.565 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.37 -25.74 68.08 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.526 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.43 -28.25 69.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.582 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -68.36 -23.9 64.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.788 0.328 . . . . 0.0 110.193 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -72.6 -18.29 61.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.44 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.97 -24.13 66.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.506 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.0 -26.98 67.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.371 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.578 -179.932 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.6 m . . . . . 0 CA--C 1.531 0.245 0 CA-C-O 120.694 0.283 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.01 -14.89 62.5 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.644 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 44.5 p-10 -67.47 -17.51 64.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.475 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.509 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -60.95 -37.99 84.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.18 -36.85 85.5 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.476 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.69 -35.51 81.29 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.175 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.59 -35.83 81.79 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.467 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -60.62 -38.0 83.3 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.43 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.96 -39.33 91.77 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.629 -0.428 . . . . 0.0 109.959 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.9 -37.73 85.69 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.368 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 64.0 t-20 -60.46 -36.82 79.18 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.652 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -62.03 -36.7 82.35 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.345 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.62 -23.28 66.98 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.554 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.61 -26.35 67.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.469 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.414 ' OE2' ' OE1' ' A' ' 24' ' ' GLU . 52.8 tp10 -61.71 -38.31 87.41 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.45 -34.79 78.52 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.569 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.53 -27.07 68.34 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.005 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.414 ' OE1' ' OE2' ' A' ' 21' ' ' GLU . 98.8 mt-10 -62.18 -36.24 81.29 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.547 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.648 ' N ' HD12 ' A' ' 25' ' ' LEU . 7.9 mp -62.48 -36.15 81.57 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.487 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.47 -37.6 84.2 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -61.98 -36.35 81.2 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.582 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.48 -29.5 70.17 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.319 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.14 -38.39 86.24 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.618 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.8 t -61.22 -38.94 88.4 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.617 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--N 1.332 -0.189 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.758 -179.751 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 N--CA 1.465 0.28 0 N-CA-C 111.353 0.131 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.03 -36.82 82.73 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.891 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.21 -29.24 70.03 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.703 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.46 -18.69 65.51 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.692 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -62.89 -19.2 63.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.245 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -58.68 -23.74 59.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.455 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -68.81 -21.89 64.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.975 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -24.4 65.55 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.742 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.59 -32.23 73.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.122 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.935 -179.757 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.1 m . . . . . 0 CA--C 1.53 0.198 0 CA-C-O 120.382 0.134 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.31 -23.06 66.91 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.477 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.44 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 97.7 m-20 -63.19 -36.65 84.35 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.773 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.21 -25.56 67.87 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.94 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.14 -38.28 88.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.06 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.624 ' N ' HD12 ' A' ' 12' ' ' LEU . 8.0 mp -62.45 -38.96 91.81 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.173 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 9' ' ' ASP . 26.2 mp0 -70.49 -24.84 62.92 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.705 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -60.58 -37.71 82.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.488 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.609 ' N ' HD12 ' A' ' 15' ' ' LEU . 8.0 mp -61.92 -37.68 85.59 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.504 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.82 -36.86 84.59 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.45 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.36 -36.79 83.35 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.585 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.39 -38.4 89.48 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.52 -23.0 67.13 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.455 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.07 -17.63 34.59 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.805 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.1 -38.3 90.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.749 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -68.98 -19.15 64.14 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.921 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.64 81.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.672 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -62.03 -39.2 91.51 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.106 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.94 -39.09 93.36 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.323 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.24 -36.67 84.42 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.5 mmm-85 -63.17 -36.73 84.59 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.397 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.4 mt -82.28 -15.13 54.08 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.774 0.321 . . . . 0.0 110.454 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.59 -38.33 87.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.466 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.4 p -61.6 -34.75 76.18 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.476 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.586 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 CA--C 1.529 0.147 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.36 -36.78 83.32 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.631 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.22 -21.66 66.31 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.77 0.319 . . . . 0.0 110.8 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.19 -19.48 61.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -58.9 -19.93 46.83 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.487 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -61.62 -37.8 85.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.493 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -68.39 -22.9 64.62 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.662 0.268 . . . . 0.0 111.006 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -25.95 67.3 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.863 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.591 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.0 mm? -63.13 -37.05 85.69 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.567 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 . . . . . 0 CA--C 1.53 0.183 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.553 179.795 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.3 m . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.492 0.187 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.46 -18.95 62.28 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.901 0.381 . . . . 0.0 110.204 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 64.9 t0 -62.13 -36.44 81.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.638 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.23 -29.99 70.17 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.503 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.87 -37.66 85.35 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.561 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.12 -36.63 84.25 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.394 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.79 -36.22 83.16 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.581 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -64.07 -28.81 70.04 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.671 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.65 -27.46 68.39 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.437 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.25 -25.95 68.28 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.422 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -61.86 -36.52 81.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.548 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.43 -37.51 86.12 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.362 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.84 -25.31 67.45 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.467 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.46 -24.59 67.53 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.3 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.02 -37.63 85.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.398 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.16 -35.85 80.07 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.679 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -27.0 68.3 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.391 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.99 -37.44 84.83 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.265 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.26 -34.19 77.14 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.569 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.59 -26.84 68.87 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.969 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.17 -36.27 81.34 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.567 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.403 HD12 ' OE1' ' A' ' 31' ' ' GLU . 60.7 tp -62.22 -38.61 89.86 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.296 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -61.41 -39.09 89.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.699 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.9 p -62.92 -33.8 76.09 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.583 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' OE1' HD12 ' A' ' 28' ' ' LEU . 98.9 mt-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.712 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt . . . . . 0 C--O 1.232 0.183 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.1 -36.83 82.89 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.678 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.83 -35.96 81.65 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.6 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.28 -19.87 65.7 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.7 0.286 . . . . 0.0 110.785 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.21 -37.52 80.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.721 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -62.44 -36.33 82.07 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.529 ' CD ' ' N ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -66.12 -23.02 66.42 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.729 0.299 . . . . 0.0 110.838 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.74 -23.05 64.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.732 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.6 mt -64.76 -31.72 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.585 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 CA--C 1.529 0.16 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.847 -179.612 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.433 0.158 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.88 -21.36 62.41 Favored 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -77.45 -16.64 58.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.612 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.39 -36.59 78.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.516 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -60.18 -25.38 65.52 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.753 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -80.26 -16.61 54.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.26 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.77 -37.21 85.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.656 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -62.68 -36.39 82.76 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.746 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.86 -39.0 90.34 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.403 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.5 -38.41 87.22 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.348 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.12 -36.57 82.16 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.637 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.28 -34.65 78.15 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.484 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.9 -23.4 66.3 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.609 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.26 -27.2 68.29 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.484 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.12 -35.29 79.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.489 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.49 -35.1 78.28 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.752 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.26 -26.93 68.1 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.766 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.54 -25.72 67.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.766 0.317 . . . . 0.0 110.459 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.92 -26.03 66.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.325 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.07 -36.13 80.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.964 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -62.11 -36.74 82.65 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.678 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.643 ' N ' HD12 ' A' ' 28' ' ' LEU . 7.7 mp -63.42 -36.21 82.98 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.462 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.76 -29.65 69.53 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.029 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.2 m -58.56 -16.21 14.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.592 0.234 . . . . 0.0 111.023 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 . . . . . 0 C--N 1.329 -0.317 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.679 -179.552 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt . . . . . 0 N--CA 1.462 0.173 0 CA-C-O 120.857 0.36 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -61.45 -23.36 65.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.217 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.63 -35.8 80.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.509 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.34 -21.96 66.58 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.703 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.01 -37.04 81.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.423 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -60.61 -38.13 83.7 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -62.18 -36.74 82.81 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.87 -14.86 10.14 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.858 0.361 . . . . 0.0 111.056 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.9 tp -57.92 -37.36 73.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 . . . . . 0 N--CA 1.462 0.149 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.362 -179.696 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.2 p . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.85 0.357 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.72 -18.46 54.52 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.264 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.37 -35.03 76.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.722 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.22 -37.29 79.85 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.783 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.59 -36.7 84.68 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.582 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.4 -35.26 80.32 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.06 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -63.77 -35.05 79.31 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.009 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.6 mmm-85 -60.59 -36.42 78.49 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.442 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.6 tp -61.47 -38.89 88.88 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.553 -0.459 . . . . 0.0 109.99 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.52 -38.09 86.13 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.338 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 63.4 t-20 -60.28 -37.26 79.93 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.462 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.06 -35.46 80.31 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.422 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.47 -24.21 67.33 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.482 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.22 -24.74 67.4 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.333 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.37 -36.02 80.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.49 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.39 -37.45 85.79 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.468 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.42 -27.83 68.82 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.432 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.3 -37.89 87.27 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.371 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.81 -36.1 82.06 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.392 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.86 -38.17 87.26 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.458 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.8 -36.74 84.13 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.51 -39.07 92.32 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.475 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.51 -38.52 87.67 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.113 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.9 p -61.78 -33.67 74.51 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.61 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.676 179.911 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt . . . . . 0 CA--C 1.533 0.327 0 N-CA-C 111.354 0.131 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.61 -38.72 88.66 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.609 -0.437 . . . . 0.0 111.441 -178.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 58.9 mp0 -67.47 -29.16 68.54 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.292 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.87 -24.46 67.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.408 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.12 -36.08 80.69 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.39 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -63.02 -36.6 84.1 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.699 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.42 -37.14 84.7 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.578 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.68 -22.96 62.68 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.203 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 45' ' ' LEU . 96.9 mt -63.36 -35.24 79.75 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.393 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.333 -0.129 0 CA-C-O 120.762 0.315 . . . . 0.0 110.358 179.923 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.7 m . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.352 0.12 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.96 -19.19 52.31 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.926 0.393 . . . . 0.0 110.129 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.07 -36.55 83.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.552 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.48 -28.15 69.63 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.645 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -70.07 -24.37 63.23 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.691 0.282 . . . . 0.0 110.84 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.2 -16.4 63.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.709 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -52.35 -21.02 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.506 -179.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -61.29 -38.36 86.51 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.425 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.87 -35.34 80.31 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.256 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.0 -25.37 68.1 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.507 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -61.17 -36.34 79.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.36 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.47 -37.45 85.98 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.425 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.71 -25.5 67.46 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.555 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.97 -35.56 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.239 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.06 -35.75 79.58 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.41 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.63 -37.6 84.56 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.204 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.05 -34.95 75.68 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.503 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -63.95 -24.84 67.88 Favored 'General case' 0 C--N 1.334 -0.078 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.32 -35.26 76.89 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.485 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.427 ' C ' ' N ' ' A' ' 28' ' ' LEU . 80.7 mm-40 -59.9 -17.97 41.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.14 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.412 ' O ' ' OG ' ' A' ' 30' ' ' SER . 15.5 ptm180 -48.62 -17.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.033 0.444 . . . . 0.0 110.544 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 26' ' ' GLU . 59.6 tp -58.71 -36.48 74.32 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.281 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -57.51 -26.22 61.01 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.098 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 95.4 p -63.23 -22.81 67.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.898 0.38 . . . . 0.0 110.235 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.406 179.742 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 tptm . . . . . 0 CA--C 1.528 0.106 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.26 -38.29 86.16 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.02 -29.29 70.19 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.557 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.95 -24.21 67.77 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.624 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.87 -35.22 79.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.474 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -62.58 -36.4 82.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.75 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -67.06 -23.06 65.84 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.699 0.285 . . . . 0.0 111.07 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.13 65.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.719 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.2 mt -66.19 -29.06 69.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.349 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 . . . . . 0 CA--C 1.53 0.201 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.263 -179.91 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.0 m . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 120.4 0.143 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.54 -21.97 66.66 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.96 0.409 . . . . 0.0 110.076 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 62.5 t0 -63.35 -35.05 79.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.534 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.0 79.84 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.72 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.28 -36.75 84.72 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.409 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.4 -35.7 81.76 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.378 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.96 -35.91 82.25 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.787 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -63.98 -26.21 68.48 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.365 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.07 -38.85 90.37 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.097 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -70.35 -19.79 63.02 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -97.05 9.28 42.53 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.359 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.91 -37.78 85.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.446 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.8 -36.57 79.37 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.673 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.03 -36.74 80.36 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.594 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.12 -37.95 87.1 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.385 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 98.8 mt-10 -62.68 -36.12 81.87 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.667 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -25.15 67.78 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.614 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.91 -37.68 87.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.23 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.0 -40.7 94.54 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.934 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' A' ' 22' ' ' GLU . 59.3 mp0 -64.12 -36.49 84.22 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.411 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -63.11 -35.84 81.61 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.601 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.74 -39.16 90.58 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.509 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.23 -38.39 86.46 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.563 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.8 m -61.68 -36.55 81.19 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.653 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 CA--C 1.53 0.183 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.628 -179.883 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt . . . . . 0 N--CA 1.462 0.146 0 CA-C-O 120.504 0.192 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -59.64 -22.26 61.62 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.48 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -66.22 -26.0 67.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.473 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.71 -23.83 67.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.443 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.1 -36.02 80.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.499 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.81 -36.68 83.96 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.555 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -62.91 -36.95 85.05 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.66 -21.8 61.01 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.223 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.6 -28.54 69.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.41 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 N--CA 1.465 0.308 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.623 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 9' ' ' ASP . 84.8 m . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.34 86.07 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.704 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.413 ' H ' HG22 ' A' ' 7' ' ' THR . 98.0 m-20 -63.38 -35.15 79.45 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.25 -37.37 82.85 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.603 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.98 -37.03 85.91 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.678 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.94 -33.8 76.91 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.546 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -62.75 -35.18 78.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.098 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -59.98 -38.99 84.14 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.015 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.619 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.3 mm? -63.15 -37.95 89.23 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.48 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -69.65 -23.59 63.5 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.274 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -98.22 9.3 43.28 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.452 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.42 -37.82 87.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.38 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.13 -25.52 67.79 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.609 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.17 -26.21 68.2 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.438 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.61 -36.21 82.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.686 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -64.87 -21.31 66.78 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.862 0.363 . . . . 0.0 110.807 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.48 -20.16 59.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.016 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -59.38 -20.46 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.346 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.88 -27.96 67.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.272 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.78 -37.87 85.92 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.699 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.45 -37.05 84.4 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.674 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.8 mt -81.07 -15.3 56.39 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.822 0.344 . . . . 0.0 110.536 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -62.46 -37.06 84.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.656 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.7 p -62.35 -21.05 65.0 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.575 0.226 . . . . 0.0 111.287 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 C--N 1.329 -0.3 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.435 -179.809 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 tptp . . . . . 0 C--O 1.233 0.21 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -61.83 -37.24 83.71 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.606 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.41 -36.52 84.02 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.326 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.3 -14.82 56.93 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.74 0.305 . . . . 0.0 110.811 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.3 -37.4 80.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.428 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -59.9 -25.11 64.84 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.672 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -62.95 -36.45 83.48 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.842 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.79 -20.99 54.93 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.014 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.12 -28.62 69.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.172 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 . . . . . 0 CA--C 1.532 0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.941 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 t -156.71 -167.89 2.52 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 121.21 -0.196 . . . . 0.0 110.542 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -53.62 -16.9 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 110.418 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -59.87 -17.89 40.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.017 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.36 -39.49 90.8 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.308 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.4 mt -64.62 -32.5 74.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.403 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 99.4 m -63.47 -41.75 98.6 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.964 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.0 -21.41 60.0 Favored 'General case' 0 C--O 1.231 0.13 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.299 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.25 -26.53 67.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.546 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.02 -36.63 80.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.776 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -63.36 -36.73 84.68 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.79 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.6 mp -62.62 -37.16 85.2 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.668 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.431 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 96.8 mt-30 -64.3 -36.86 85.5 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.768 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -62.28 -36.76 83.09 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.5 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.96 -36.71 84.39 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.333 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -74.23 -15.85 60.98 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.804 0.335 . . . . 0.0 110.131 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 13' ' ' GLN . 33.3 m120 -91.72 5.86 48.15 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.667 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -62.29 -20.5 64.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.366 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.33 -36.53 80.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.615 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.93 -24.43 67.86 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.989 -0.285 . . . . 0.0 111.094 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.77 -39.22 90.89 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.581 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.402 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 60.1 mp0 -64.52 -35.37 80.75 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.394 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.44 -23.46 66.89 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.494 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.57 -38.04 86.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.371 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.34 -38.54 89.88 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.384 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.32 -36.0 80.83 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.65 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -60.85 -38.05 84.2 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.58 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.59 -35.42 80.45 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.54 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -64.35 -28.32 69.62 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 121.039 -0.265 . . . . 0.0 111.267 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.5 p -62.88 -23.28 67.26 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.582 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.92 -36.06 82.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.5 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.4 ttt180 64.6 3.21 1.86 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.98 0.419 . . . . 0.0 110.232 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.57 -47.17 87.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.352 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.11 -37.27 84.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.791 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 58.8 m170 -67.17 -33.63 75.81 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.23 -26.79 68.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.736 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.47 -25.58 67.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.225 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -61.6 -37.85 85.4 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.95 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -64.05 -34.96 79.2 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.286 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.16 -22.84 66.2 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.447 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.13 -37.71 83.79 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.18 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -62.33 -37.67 86.53 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.179 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -67.59 -22.75 65.35 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.963 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -25.42 66.33 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.719 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.11 -29.67 70.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.275 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.49 -27.72 68.68 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.513 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 54.1 38.71 29.63 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.596 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.48 -37.73 87.11 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.452 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.5 mt 58.07 37.58 26.51 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.604 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.53 -29.07 69.76 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.495 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.5 ' O ' ' CG ' ' A' ' 52' ' ' TYR . 98.0 m-20 -61.53 -36.92 81.91 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.698 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' A' ' 51' ' ' ASP . 94.4 m-85 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.595 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' C ' ' H ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 p 73.82 -10.82 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.733 0.302 . . . . 0.0 110.525 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.404 ' H ' ' C ' ' A' ' 1' ' ' GLY . 53.8 t -63.62 -40.05 87.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.378 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.65 -38.37 90.03 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.496 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.94 -39.65 92.8 Favored 'General case' 0 N--CA 1.462 0.137 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.476 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.47 -39.03 92.12 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.401 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.3 p -70.23 -31.82 69.41 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.898 0.38 . . . . 0.0 110.933 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.46 -18.39 51.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.147 0.498 . . . . 0.0 110.269 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.37 -36.9 81.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.467 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.82 -25.01 67.98 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.651 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -61.94 -37.12 83.53 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.728 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.628 ' N ' HD12 ' A' ' 12' ' ' LEU . 8.0 mp -62.27 -37.08 84.1 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.455 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.92 -36.91 85.49 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.665 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -62.69 -36.05 81.67 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.675 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.4 mt -66.3 -28.04 68.38 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.504 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -66.24 -23.01 66.34 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.458 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.09 -36.56 82.07 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.574 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.01 -37.87 86.49 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.438 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.93 -25.6 67.69 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.617 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.37 -25.65 68.04 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.383 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.18 -37.79 86.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.375 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.46 -35.85 80.61 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.611 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.58 -26.64 68.09 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.453 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.21 -37.82 86.81 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.43 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.26 -28.95 69.11 Favored 'General case' 0 C--N 1.333 -0.109 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.388 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.82 -38.04 86.69 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.198 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -61.0 -38.19 85.17 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.509 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.26 -36.15 82.7 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.467 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -62.03 -36.93 83.07 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.572 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.3 t -61.15 -39.32 89.63 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.604 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.56 -35.62 81.09 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.459 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 59.5 ttm-85 -85.44 121.12 27.7 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -100.97 -5.99 25.13 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.823 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.52 ' OD1' ' NZ ' ' A' ' 37' ' ' LYS . 57.0 p30 -160.99 151.65 18.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.481 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -102.75 13.1 35.26 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.816 0.341 . . . . 0.0 110.208 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.0 p30 -81.72 1.62 33.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.162 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.52 ' NZ ' ' OD1' ' A' ' 34' ' ' ASP . 63.7 mttp -62.22 -36.8 83.09 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.555 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -62.42 -36.54 82.69 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.643 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -65.35 -27.97 68.96 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.92 -23.43 67.36 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.41 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.64 -37.34 83.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.254 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -61.44 -38.47 87.29 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.549 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -63.27 -37.35 86.9 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.686 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.424 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -59.75 -22.55 62.24 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.136 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.8 mt -78.54 -12.5 60.02 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.86 0.362 . . . . 0.0 110.422 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.52 -37.95 88.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.645 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 44' ' ' ALA . 55.6 p30 -85.16 4.19 35.58 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.74 0.305 . . . . 0.0 110.7 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.37 -38.78 88.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.495 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.8 mt -83.65 -10.98 57.84 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.401 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.25 -26.14 68.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.542 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -84.72 2.6 41.22 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.633 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.1 t80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.493 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.1 p -63.37 -23.75 67.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.745 0.307 . . . . 0.0 110.497 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.34 -39.99 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.311 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.64 -36.82 84.05 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.642 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.06 -39.53 92.71 Favored 'General case' 0 C--O 1.23 0.069 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.423 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.765 ' O ' HD23 ' A' ' 6' ' ' LEU . 5.2 tt -65.27 -35.36 80.78 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.9 m -65.64 -40.98 93.1 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.037 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.72 -21.22 62.58 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.047 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -73.44 -17.35 61.26 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.596 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.62 -35.77 76.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.687 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -58.22 -26.14 62.49 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.982 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.08 -36.29 83.53 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.164 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -64.35 -35.08 79.71 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.669 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -59.58 -38.05 80.14 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.664 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.27 -34.82 78.5 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.23 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.33 -36.32 79.84 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.927 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -95.95 15.31 20.86 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.567 0.222 . . . . 0.0 111.065 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -59.94 -18.52 45.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 0.0 110.372 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.85 -23.13 66.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.36 -26.04 67.56 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' O ' ' OE1' ' A' ' 24' ' ' GLU . 98.7 mt-10 -63.0 -35.86 81.64 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.63 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -67.15 -26.02 66.45 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.147 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.08 80.94 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.896 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 21' ' ' GLU . 59.9 mp0 -63.04 -36.14 82.58 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.352 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.93 -38.14 87.31 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.422 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.83 -32.6 72.93 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.674 -0.239 . . . . 0.0 110.783 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -59.91 -37.95 80.9 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.615 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.624 ' N ' HD12 ' A' ' 28' ' ' LEU . 8.1 mp -62.14 -37.18 84.19 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.522 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -61.45 -38.12 86.06 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.38 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.5 m -61.5 -36.69 81.21 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.66 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.32 -36.72 83.04 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.714 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 48.47 55.44 8.94 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.003 0.43 . . . . 0.0 110.237 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.7 t60 -60.53 -48.21 82.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.564 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -65.07 136.67 57.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.619 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -91.76 -8.07 47.83 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.915 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -86.41 4.46 39.39 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.485 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -61.42 -38.49 87.34 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.55 -36.5 82.83 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.776 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.55 -36.36 82.39 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.713 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.19 -36.03 78.76 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.668 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.31 -28.14 68.99 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.61 0.243 . . . . 0.0 111.006 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -61.68 -15.78 43.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.001 -179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -56.43 -19.0 12.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.739 0.304 . . . . 0.0 110.85 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.434 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -60.98 -23.37 65.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.731 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.11 -38.56 89.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.468 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -64.69 -23.43 67.25 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 120.924 -0.31 . . . . 0.0 110.66 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 44' ' ' ALA . 97.0 m-20 54.55 37.13 27.4 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.435 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 53.86 36.78 25.0 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.456 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.3 tp -63.2 -39.34 94.34 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.42 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.12 22.69 1.08 Allowed 'General case' 0 N--CA 1.461 0.106 0 CA-C-O 120.81 0.338 . . . . 0.0 110.577 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.69 -37.06 82.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.65 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 52.6 p90 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.51 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.5 p -63.39 -24.13 67.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 0.0 110.699 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.49 -40.51 89.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.417 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.09 -36.28 83.06 Favored 'General case' 0 C--N 1.333 -0.122 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.577 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -60.63 -43.45 97.52 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.148 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 9' ' ' ASP . 91.1 mt -62.71 -37.5 86.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.398 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 94.3 m -70.14 -39.19 75.55 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.969 -0.293 . . . . 0.0 111.401 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.53 -14.68 62.18 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.669 -178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 46.4 p-10 -67.79 -18.39 64.84 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.71 -0.796 . . . . 0.0 110.414 -179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -61.72 -38.07 86.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.456 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.12 -36.7 85.1 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.736 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.08 -39.23 94.09 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.512 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.09 -37.13 86.33 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.555 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -61.69 -37.8 85.47 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.348 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.0 tp -62.06 -39.16 91.45 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.216 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -70.19 -20.77 63.1 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.835 0.35 . . . . 0.0 110.107 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -97.18 8.75 43.9 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.444 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.25 -38.04 87.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.397 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.1 -27.36 68.87 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.431 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.43 -26.77 68.68 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.5 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.06 -38.58 89.31 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.354 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.31 -36.33 83.32 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.583 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.76 80.55 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.644 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -84.24 -18.62 35.89 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.879 0.371 . . . . 0.0 110.443 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.77 -41.37 97.97 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.399 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -71.28 -19.54 62.33 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.93 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.78 -38.42 88.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.8 mt -65.26 -32.9 74.8 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.296 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -60.42 -38.38 83.87 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.513 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.5 p -61.77 -34.3 75.62 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.501 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.92 -38.37 90.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.221 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 48.17 66.2 1.12 Allowed 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.422 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.693 ' CD2' ' H ' ' A' ' 34' ' ' ASP . 63.8 t60 -97.08 -135.46 0.24 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.113 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.693 ' H ' ' CD2' ' A' ' 33' ' ' HIS . 58.1 p-10 -157.95 150.22 22.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.706 0.288 . . . . 0.0 110.45 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -96.62 2.05 51.81 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.914 0.388 . . . . 0.0 110.329 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -64.19 -28.99 70.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.736 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -60.23 -23.61 64.2 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.799 0.333 . . . . 0.0 110.851 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -65.83 -27.27 68.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.355 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.43 -29.71 70.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.408 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.29 -24.38 67.27 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.71 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.13 -35.93 80.25 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.37 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -61.52 -38.18 86.45 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.411 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.72 -35.86 81.1 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.2 -23.59 56.19 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.86 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.67 -32.59 74.32 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.4 -36.2 79.64 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.126 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.8 t0 62.12 35.6 15.63 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -126.27 7.65 7.14 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.984 0.421 . . . . 0.0 110.169 178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.526 ' O ' ' CE2' ' A' ' 52' ' ' TYR . 60.7 tp -63.12 -38.32 90.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.487 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.516 ' O ' ' CD1' ' A' ' 52' ' ' TYR . . . -60.45 -36.73 78.92 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.853 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 67.7 t0 -63.08 -37.18 86.19 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.526 ' CE2' ' O ' ' A' ' 49' ' ' LEU . 60.7 m-85 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.087 -0.959 . . . . 0.0 110.279 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.453 -1.459 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -64.95 -21.36 66.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.75 0.309 . . . . 0.0 110.789 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.44 17.96 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.007 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -61.96 -21.51 64.87 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.672 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.15 -39.61 93.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' O ' ' CG ' ' A' ' 9' ' ' ASP . 94.5 mt -63.96 -35.3 80.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.422 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.7 m -63.27 -37.53 87.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.746 -0.206 . . . . 0.0 111.331 -179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.8 -19.37 50.3 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.392 -178.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 52.4 p-10 -62.45 -17.58 59.74 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.306 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.514 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -60.85 -36.31 78.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.7 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -63.04 -35.86 81.64 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.551 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.41 -36.38 83.55 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.343 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.88 -36.97 85.68 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.623 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.11 -37.29 82.23 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.515 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.11 -36.17 80.94 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.489 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.06 -38.17 85.23 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.085 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.26 -36.13 81.1 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.445 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -61.56 -37.65 84.6 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.55 79.46 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.495 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.85 -36.55 79.43 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.38 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.74 -36.86 82.22 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.11 -37.74 83.82 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.245 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.64 -36.64 79.16 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.468 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.11 -37.73 86.23 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.306 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.64 -37.47 81.6 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 121.129 -0.228 . . . . 0.0 110.479 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.91 -36.05 76.17 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.628 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -59.87 -38.6 82.63 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.781 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.597 ' N ' HD12 ' A' ' 28' ' ' LEU . 8.3 mp -63.64 -36.4 83.72 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.626 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -65.59 -24.46 67.08 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.749 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.6 m -62.32 -37.57 86.08 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.696 -0.401 . . . . 0.0 110.501 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.49 -36.05 82.48 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.498 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 53.3 mmm-85 -72.34 149.84 44.03 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 57.67 34.28 24.29 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.489 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -89.23 107.08 18.85 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.919 0.39 . . . . 0.0 110.456 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -99.58 7.83 44.94 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.227 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 53.96 34.58 19.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.615 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -65.15 -35.21 80.38 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.378 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -63.02 -36.45 83.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.548 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -63.35 -35.17 79.51 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.927 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.38 -22.74 66.37 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.174 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.69 -36.29 80.48 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.757 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -63.15 -36.25 82.99 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.726 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -66.35 -21.74 66.25 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.646 0.26 . . . . 0.0 110.87 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.444 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -60.77 -24.71 65.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.801 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.18 -38.2 88.16 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.413 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.61 -27.98 69.58 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.862 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 44' ' ' ALA . 97.6 m-20 54.93 37.33 28.58 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.49 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.0 mttp 54.38 38.19 29.04 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.663 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.3 mt 56.23 29.78 15.44 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.279 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.63 -33.97 74.85 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.808 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.54 -36.45 78.45 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.724 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.506 ' OXT' ' CD1' ' A' ' 52' ' ' TYR . 55.2 p90 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.615 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.493 ' C ' ' H ' ' A' ' 4' ' ' GLU . 86.4 p -70.28 -18.46 63.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.809 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.2 t 61.93 -0.93 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.422 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.493 ' H ' ' C ' ' A' ' 2' ' ' SER . 88.6 tt0 -62.57 -38.78 91.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.729 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.01 -44.39 97.49 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.049 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.23 -33.69 76.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.564 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 99.9 m -63.36 -41.4 98.83 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.097 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.47 -18.59 51.71 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.946 0.403 . . . . 0.0 110.297 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.41 -36.27 83.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.751 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.17 -26.07 68.64 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.281 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.55 -27.5 68.49 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.984 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.596 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.7 mp -63.01 -23.1 67.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.656 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -55.58 -20.9 14.95 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.232 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.6 -38.04 86.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.476 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.52 -28.13 68.31 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.278 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -61.22 -37.81 84.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -61.97 -36.82 82.58 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.626 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -63.69 -35.28 80.03 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.623 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.41 -24.2 67.27 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.507 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.15 -24.54 67.23 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.324 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.04 -37.61 85.59 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.415 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.12 -35.73 79.6 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.959 -0.297 . . . . 0.0 110.638 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.35 -25.83 67.41 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.462 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -62.33 -38.17 88.45 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.25 -34.88 79.13 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.604 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -64.1 -27.43 69.09 Favored 'General case' 0 C--N 1.333 -0.139 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.9 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -62.49 -35.87 80.72 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.695 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.15 -39.13 91.57 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.414 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.79 -29.54 69.52 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 121.165 -0.214 . . . . 0.0 111.43 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.0 p -63.95 -21.58 66.54 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 120.88 -0.328 . . . . 0.0 111.117 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.33 -36.7 83.02 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.604 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 55.14 83.42 0.09 Allowed 'General case' 0 N--CA 1.463 0.205 0 C-N-CA 120.614 -0.435 . . . . 0.0 110.635 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -156.97 170.61 22.12 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.409 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -129.37 25.23 5.47 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.731 0.301 . . . . 0.0 110.503 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -89.12 -0.66 57.62 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.727 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.73 -37.52 84.52 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.669 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -65.34 -14.96 62.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.77 0.319 . . . . 0.0 111.254 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.33 -36.1 75.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.444 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -58.6 -19.24 36.83 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.419 -0.513 . . . . 0.0 110.521 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.56 -24.34 67.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.169 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.68 -34.61 77.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.7 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.0 ttp-105 -60.55 -37.76 82.3 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.738 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -68.32 -22.89 64.68 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.191 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.83 -28.94 69.18 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.011 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.637 ' N ' HD12 ' A' ' 45' ' ' LEU . 7.8 mp -62.67 -37.07 84.98 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.976 -0.289 . . . . 0.0 110.715 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.46 -36.5 82.64 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.663 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.74 -36.61 81.5 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.598 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.63 -38.81 89.02 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.465 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.3 mt -82.32 -12.04 58.24 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.774 0.321 . . . . 0.0 110.526 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.99 -24.19 67.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.497 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.527 ' OD1' ' CD1' ' A' ' 52' ' ' TYR . 45.9 p-10 -62.46 -36.93 83.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.951 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.527 ' CD1' ' OD1' ' A' ' 51' ' ' ASP . 92.9 m-85 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.444 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -73.3 -11.21 60.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.935 0.398 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.2 -39.46 85.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.337 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -63.06 -21.84 66.44 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.534 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -61.98 -39.36 91.9 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.191 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.96 -36.07 82.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.569 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.1 m -63.6 -40.03 95.88 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.67 -22.01 66.87 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 120.906 0.384 . . . . 0.0 110.119 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 63.9 t0 -62.5 -35.94 80.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.401 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.24 81.04 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.66 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.29 -38.0 87.66 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.023 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.41 HD23 HD12 ' A' ' 15' ' ' LEU . 86.4 mt -64.79 -35.38 80.92 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.319 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -63.02 -36.94 85.23 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.668 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.421 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 89.6 mmt-85 -66.19 -25.73 67.07 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.028 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD12 HD23 ' A' ' 12' ' ' LEU . 91.4 mt -76.26 -16.0 59.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.392 . . . . 0.0 110.155 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -61.1 -37.93 84.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.54 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.421 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 53.5 p30 -82.39 3.59 27.36 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-O 120.745 0.307 . . . . 0.0 110.809 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.03 -37.65 85.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.009 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.24 -26.79 67.98 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.77 -24.13 67.57 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.118 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.92 -37.88 86.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.006 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.08 -35.99 80.34 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.409 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.5 77.44 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.451 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -64.53 -18.64 65.01 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.798 0.333 . . . . 0.0 111.128 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.7 tp -58.21 -35.45 71.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.475 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -56.79 -18.61 13.41 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.646 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -62.52 -36.87 83.96 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.54 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.3 mt -82.55 -14.71 54.43 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.787 0.327 . . . . 0.0 110.544 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 32' ' ' ARG . 88.1 tttt -61.26 -38.0 85.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.475 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.8 p -61.57 -33.52 74.01 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.374 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.33 -38.53 91.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.587 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 29' ' ' LYS . 80.1 ttt180 -137.53 131.15 31.34 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.775 0.321 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.53 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 97.6 m-70 -62.35 -41.31 98.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.417 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 52.8 t0 51.96 32.85 10.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.105 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 33' ' ' HIS . 96.3 m-70 -117.01 15.8 15.08 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.831 0.348 . . . . 0.0 110.278 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -86.59 2.58 47.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.621 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -85.72 -15.31 42.61 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.802 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -61.98 -22.57 65.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.055 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -63.35 -22.2 66.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.339 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.05 -22.8 67.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.347 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.07 -36.68 82.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.59 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.14 -37.98 89.37 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.441 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -70.28 -33.51 71.66 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.34 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.07 79.89 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -177.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 pp -72.0 -27.13 62.54 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.209 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -67.96 -28.92 67.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.282 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -82.42 -6.35 59.23 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 65.0 tttp -60.55 -38.85 85.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.451 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.551 ' H ' HD23 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -85.78 -17.08 36.79 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-O 120.824 0.345 . . . . 0.0 110.104 179.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.52 -28.08 69.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.659 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 48' ' ' LYS . 55.5 p30 -83.49 2.1 38.53 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.773 0.321 . . . . 0.0 110.569 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 92.1 t80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.581 179.858 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.9 p -81.79 -8.4 59.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.746 0.307 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.27 -41.17 90.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.097 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.438 ' OE2' ' NZ ' ' A' ' 5' ' ' LYS . 24.7 pt-20 -66.19 -18.55 65.42 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.671 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.438 ' NZ ' ' OE2' ' A' ' 4' ' ' GLU . 45.7 mmtm -81.06 -166.13 1.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.122 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.6 mt 58.28 20.63 7.38 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.964 0.411 . . . . 0.0 110.288 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.2 m -66.87 -40.72 87.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.258 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.71 -21.73 62.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.94 0.4 . . . . 0.0 110.157 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -68.8 -24.22 64.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.519 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.8 -37.08 80.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.558 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.74 -36.69 84.72 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.467 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.57 -34.89 79.31 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.265 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.11 -36.15 82.63 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.746 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.433 ' O ' ' OD1' ' A' ' 17' ' ' ASN . 83.3 mtp180 -62.7 -35.04 78.41 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.604 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.5 -24.16 65.55 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.05 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -64.88 -24.52 67.56 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.808 -0.357 . . . . 0.0 111.254 -179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 14' ' ' ARG . 53.2 p30 -78.33 -1.44 33.22 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.983 -179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -67.17 -26.93 66.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.508 179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.6 -23.69 67.17 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.488 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.92 -24.84 67.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.315 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -62.21 -36.19 81.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.514 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.25 -36.08 80.92 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.595 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.62 79.93 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.477 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.42 -35.88 80.63 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.54 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.73 -28.93 69.41 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.235 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.84 -38.01 86.63 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.462 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -63.08 -35.74 81.27 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.475 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.66 -29.32 69.86 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.632 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -62.48 -34.39 76.75 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.798 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 91.9 p -60.43 -29.43 69.0 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.783 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.42 -36.22 83.02 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.779 -0.369 . . . . 0.0 110.294 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 55.37 41.77 30.78 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.8 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.07 -47.48 85.71 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.725 -0.39 . . . . 0.0 109.968 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -62.99 142.14 58.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.087 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.619 ' ND1' ' N ' ' A' ' 36' ' ' ASP . 63.4 t-80 -156.0 172.86 17.67 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.638 -0.256 . . . . 0.0 110.328 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.619 ' N ' ' ND1' ' A' ' 35' ' ' HIS . 37.3 t0 54.78 33.54 19.88 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.411 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.61 -38.26 90.39 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.641 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -60.95 -38.6 86.46 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.464 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.423 ' OE1' ' OD2' ' A' ' 36' ' ' ASP . 98.6 mt-10 -65.63 -34.36 78.03 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.676 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.42 -16.41 54.86 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 110.652 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.11 -34.81 72.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.284 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -57.2 -24.55 55.25 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.838 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.97 -22.18 64.12 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.918 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.423 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -61.33 -22.61 65.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.675 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.5 mt -75.66 -13.17 60.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.38 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.88 -27.28 68.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.711 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 44' ' ' ALA . 55.1 p30 -83.35 1.79 39.51 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.731 0.301 . . . . 0.0 110.602 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -61.29 -39.31 89.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.195 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.94 -35.82 81.94 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.47 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 62.51 29.58 17.07 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.539 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.413 ' O ' ' OXT' ' A' ' 52' ' ' TYR . 56.5 p30 -87.7 4.1 45.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.517 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.413 ' OXT' ' O ' ' A' ' 51' ' ' ASP . 98.1 m-85 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.729 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -62.38 -37.39 85.57 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 121.192 -0.203 . . . . 0.0 110.805 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -132.66 -0.02 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-O 120.776 0.322 . . . . 0.0 110.507 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.38 -30.12 70.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.659 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -61.81 -39.73 92.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.737 0.303 . . . . 0.0 110.454 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.2 tp -62.81 -39.09 93.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.424 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.7 p -70.75 -26.36 63.33 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.778 0.323 . . . . 0.0 111.209 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.78 -18.16 41.2 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.679 -178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 59.1 p30 -66.33 -17.66 64.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.489 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.518 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -61.31 -36.57 80.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.757 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.06 -36.58 84.04 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.704 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.69 -36.54 84.19 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.541 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.15 -37.11 86.26 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.808 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.64 -36.74 83.79 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.652 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.11 -38.71 89.95 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.139 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -70.16 -19.96 63.17 Favored 'General case' 0 C--N 1.334 -0.095 0 CA-C-O 120.938 0.399 . . . . 0.0 109.961 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -90.96 1.79 56.76 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.543 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.32 -38.08 88.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.404 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.36 -36.47 80.32 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.615 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.03 -30.43 70.3 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.483 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.9 -38.07 87.01 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.52 -35.79 80.53 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.759 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.76 -36.66 79.49 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.672 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.26 -36.23 81.4 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.643 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.34 -35.41 80.3 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.504 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.39 -24.99 67.83 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.797 0.332 . . . . 0.0 110.628 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -61.1 -38.08 85.03 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.0 mt -66.95 -28.68 68.48 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.485 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.01 -38.36 85.81 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.491 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.4 p -61.69 -34.95 76.67 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.843 0.354 . . . . 0.0 110.493 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.28 -36.18 82.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.733 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 54.97 40.9 32.21 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.887 0.375 . . . . 0.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -60.43 -46.68 89.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.657 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -88.95 105.77 17.98 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.717 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -142.4 -21.96 0.68 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.573 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.19 -35.93 80.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -61.3 -34.4 75.16 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.59 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.34 -36.69 82.98 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.668 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.65 -35.68 80.4 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.955 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.17 -23.8 66.81 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.728 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.86 -26.06 67.11 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.709 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -62.19 -15.59 47.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -56.04 -18.15 8.78 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.321 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.79 -36.41 76.66 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.138 -179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.616 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.2 mm? -63.13 -35.58 80.76 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.511 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -61.92 -35.33 78.06 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.792 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 49' ' ' LEU . 98.1 m-20 -61.02 -36.49 79.66 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.664 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 47' ' ' ASP . 12.1 tptp 76.38 -15.98 0.66 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.876 0.369 . . . . 0.0 110.277 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.409 ' H ' ' C ' ' A' ' 47' ' ' ASP . 96.5 mt -64.71 -34.62 78.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.747 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.31 -25.83 67.39 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.929 -0.309 . . . . 0.0 110.971 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.24 -36.92 81.28 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.565 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 93.7 t80 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.484 179.883 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.526 -1.429 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.2 p -63.61 -23.45 67.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.861 0.362 . . . . 0.0 110.64 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 p -58.48 -31.2 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.517 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.77 -37.72 87.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -68.96 -163.04 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.582 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 9' ' ' ASP . 88.1 mt -86.3 1.6 50.38 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-O 120.801 0.334 . . . . 0.0 110.564 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.5 m -61.87 -37.51 84.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.292 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.444 ' O ' ' OE1' ' A' ' 11' ' ' GLU . . . -59.92 -19.05 49.58 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.581 -178.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 51.5 p-10 -65.05 -18.52 65.37 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 119.959 -0.697 . . . . 0.0 110.508 -179.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -62.12 -38.73 90.03 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.065 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 8' ' ' ALA . 60.0 mp0 -64.32 -36.43 84.11 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.701 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.616 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.7 mp -62.75 -36.69 83.86 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.622 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.84 -37.09 86.08 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.652 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.404 HH21 ' HD3' ' A' ' 14' ' ' ARG . 37.8 ttp-105 -61.32 -38.66 87.67 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.774 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.71 -39.56 94.42 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.571 -0.452 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -68.49 -23.67 64.59 Favored 'General case' 0 N--CA 1.461 0.096 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.341 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -96.12 20.55 10.05 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.437 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -63.82 -19.3 64.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.55 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.11 -36.45 79.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.611 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.88 -26.58 68.24 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.491 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -38.13 87.66 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.373 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.58 -37.75 87.4 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.373 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.1 -36.29 79.3 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.512 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.15 -36.24 81.23 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.599 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.02 -38.6 89.27 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.404 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.22 -36.17 81.16 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.744 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -60.94 -37.74 83.39 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.553 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.99 -38.82 90.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.402 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.0 -36.37 81.33 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.657 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.3 t -61.06 -38.94 87.99 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.744 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.12 -35.79 79.8 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.708 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.42 ' NH2' ' OE2' ' A' ' 41' ' ' GLU . 99.5 mtt180 55.51 36.65 27.58 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.953 0.406 . . . . 0.0 110.413 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -60.89 -46.04 92.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.766 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.8 139.35 57.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -62.18 -38.0 87.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.253 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -60.25 -36.5 77.92 Favored 'General case' 0 N--CA 1.462 0.136 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.943 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.22 -34.07 75.77 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.141 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -67.51 -23.75 65.49 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.559 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.81 -37.07 83.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.565 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.15 -34.84 74.11 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.519 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' OE2' ' NH2' ' A' ' 32' ' ' ARG . 98.9 mt-10 -61.2 -34.51 75.2 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.34 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -61.02 -39.41 89.64 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.614 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.43 -37.67 88.19 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.79 -24.28 63.98 Favored 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.198 -178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.7 mt -76.54 -14.34 60.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.759 0.314 . . . . 0.0 110.326 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.17 -37.91 87.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.483 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.62 -36.3 80.33 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.705 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 54.91 38.08 29.78 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.58 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -82.53 6.0 18.96 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.848 0.356 . . . . 0.0 110.312 179.801 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.474 ' N ' HD12 ' A' ' 49' ' ' LEU . . . -61.22 -37.15 82.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.743 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -84.77 2.74 40.82 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 120.852 0.358 . . . . 0.0 110.548 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 90.8 t80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.478 179.904 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 m -62.44 -37.58 86.42 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.55 -40.15 87.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.441 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.63 -37.22 85.48 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.802 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -62.35 -39.71 94.01 Favored 'General case' 0 C--O 1.231 0.124 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.612 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.453 HD23 ' OD2' ' A' ' 9' ' ' ASP . 89.1 mt -85.32 -11.26 55.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.648 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.5 m -65.61 -40.93 93.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.61 -17.96 52.66 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.839 0.352 . . . . 0.0 110.069 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.453 ' OD2' HD23 ' A' ' 6' ' ' LEU . 98.0 m-20 -65.5 -27.58 68.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.527 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.24 -36.26 79.49 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.733 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.84 -37.17 85.76 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.806 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.64 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.7 mp -62.91 -36.85 84.74 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.591 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.91 -37.18 86.46 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.665 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -60.83 -38.78 86.64 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.471 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.78 -35.95 81.51 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.503 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.83 -38.3 84.98 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.415 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -61.46 -36.19 79.73 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.479 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.26 -34.7 78.23 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.61 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.91 -23.82 66.57 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.453 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.02 -25.53 67.71 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.246 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.21 -37.83 86.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.421 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.45 -34.4 76.72 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.645 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.66 -33.54 72.97 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.753 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.69 -21.57 64.57 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.699 0.285 . . . . 0.0 110.818 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.87 -19.3 64.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.652 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -57.76 -18.83 23.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.447 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 -62.15 -36.28 81.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.458 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.78 -35.3 80.14 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.978 -0.289 . . . . 0.0 110.423 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' A' ' 32' ' ' ARG . 98.8 mttt -64.67 -26.3 68.32 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.024 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 70.5 m -62.52 -26.15 68.4 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.694 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.03 -36.53 81.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.129 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' A' ' 29' ' ' LYS . 99.8 mtt180 -129.26 147.08 51.06 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.821 0.343 . . . . 0.0 110.748 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -101.27 7.65 42.82 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.323 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.29 141.35 58.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.501 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -99.5 7.97 44.91 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.902 0.382 . . . . 0.0 110.176 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -62.24 -35.5 79.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.646 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -64.41 -25.56 68.07 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.728 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -60.94 -39.18 88.5 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.314 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.21 -28.47 69.4 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.74 0.305 . . . . 0.0 110.844 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.79 -25.46 67.5 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.734 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.25 -35.49 79.1 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.605 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -61.42 -38.3 86.65 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.647 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -67.9 -23.46 65.11 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.614 0.245 . . . . 0.0 111.081 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.39 -24.62 66.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.84 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.7 mt -79.32 -11.87 59.93 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.347 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.31 -38.3 88.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.479 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 47' ' ' ASP . 67.1 t0 -61.75 -37.59 84.82 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.583 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.4 tttp 49.87 30.65 4.04 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 110.182 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.6 tp -62.56 -39.44 93.67 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.452 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 50.87 26.36 2.59 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.85 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 52.25 39.82 27.81 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.596 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.303 -179.763 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 5' ' ' LYS . 47.9 t -61.7 -38.9 89.57 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.167 -0.213 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.6 p -52.33 -24.55 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.21 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.34 -37.24 84.88 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.363 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 2' ' ' SER . 62.4 pttt -157.15 175.61 13.83 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 120.921 -0.311 . . . . 0.0 110.945 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 85.7 mt 50.53 26.03 2.22 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.507 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 p -135.2 -64.18 0.66 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.382 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.17 -17.72 62.69 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.76 -36.24 80.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.582 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.06 80.78 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.603 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.43 -36.76 84.8 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.429 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.35 -28.53 67.21 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.245 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -61.73 -37.44 84.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.536 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -61.14 -37.99 84.83 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.376 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.9 -35.07 79.47 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.457 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.4 -29.71 70.96 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.824 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -61.79 -36.62 81.62 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.695 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.34 -37.59 86.24 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.416 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.56 -24.15 67.38 Favored 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.666 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.32 -23.89 67.02 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.511 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.19 -36.28 81.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.619 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.18 -37.58 85.8 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.418 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.09 -35.5 77.15 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.567 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -64.22 -27.86 69.35 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.599 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.92 -38.76 89.6 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.425 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -61.77 -38.48 88.19 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.288 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -61.89 -38.27 87.71 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.697 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.24 -36.95 85.35 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.652 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.92 -38.38 88.18 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.947 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 94.6 p -63.04 -24.39 67.89 Favored 'General case' 0 C--N 1.334 -0.104 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.811 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.03 -38.01 89.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.53 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.27 -39.34 92.59 Favored 'General case' 0 C--O 1.232 0.171 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.568 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -62.54 -39.87 94.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.445 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.58 140.21 58.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.375 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -145.83 22.87 1.41 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.526 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -86.0 3.15 43.47 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.607 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.65 -36.99 84.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.739 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.61 -38.62 88.27 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.532 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -65.22 -30.35 71.23 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.565 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.37 -25.74 68.08 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.526 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.43 -28.25 69.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.582 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -68.36 -23.9 64.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.788 0.328 . . . . 0.0 110.193 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -72.6 -18.29 61.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.44 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.97 -24.13 66.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.506 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.0 -26.98 67.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.371 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.63 -38.2 86.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.578 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.46 -36.79 81.41 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.531 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 51' ' ' ASP . 65.0 tttp -61.58 -37.83 85.32 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.39 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.23 -34.69 75.53 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.56 0.219 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.13 -22.95 61.69 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 52' ' ' TYR . 58.0 p-10 -61.73 -24.13 66.6 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.522 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.539 ' N ' ' OD1' ' A' ' 51' ' ' ASP . 72.0 m-85 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.436 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -61.57 -39.29 90.59 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.32 -40.66 89.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.424 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.24 -36.29 83.16 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.598 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.77 -38.91 89.77 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.844 0.354 . . . . 0.0 110.495 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.446 ' O ' ' CG ' ' A' ' 9' ' ' ASP . 94.7 mt -62.15 -37.16 84.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.568 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.6 m -69.67 -39.14 77.19 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.414 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.01 -14.89 62.5 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.644 -178.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 10' ' ' ALA . 44.5 p-10 -67.47 -17.51 64.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.475 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.509 ' N ' ' OD1' ' A' ' 9' ' ' ASP . . . -60.95 -37.99 84.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.591 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.18 -36.85 85.5 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.476 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.69 -35.51 81.29 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.175 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.59 -35.83 81.79 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.968 -0.293 . . . . 0.0 110.467 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -60.62 -38.0 83.3 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.43 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.96 -39.33 91.77 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 120.629 -0.428 . . . . 0.0 109.959 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.9 -37.73 85.69 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.368 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.425 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 64.0 t-20 -60.46 -36.82 79.18 Favored 'General case' 0 N--CA 1.462 0.129 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.652 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -62.03 -36.7 82.35 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.345 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.62 -23.28 66.98 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.554 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.61 -26.35 67.93 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.469 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.414 ' OE2' ' OE1' ' A' ' 24' ' ' GLU . 52.8 tp10 -61.71 -38.31 87.41 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -63.45 -34.79 78.52 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.569 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.53 -27.07 68.34 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.005 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.414 ' OE1' ' OE2' ' A' ' 21' ' ' GLU . 98.8 mt-10 -62.18 -36.24 81.29 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.547 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.648 ' N ' HD12 ' A' ' 25' ' ' LEU . 7.9 mp -62.48 -36.15 81.57 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.487 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.47 -37.6 84.2 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -61.98 -36.35 81.2 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.582 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.48 -29.5 70.17 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.319 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -61.14 -38.39 86.24 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.618 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.8 t -61.22 -38.94 88.4 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.617 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.25 -35.04 77.74 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.758 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 56.48 41.32 28.91 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.903 0.382 . . . . 0.0 110.476 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -60.27 -46.33 90.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.347 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -158.32 161.9 37.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.697 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -70.22 -22.06 62.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.386 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 56.0 39.73 30.47 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.034 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.57 -38.0 88.38 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.353 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.03 -36.82 82.73 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.891 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -65.21 -29.24 70.03 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.703 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.46 -18.69 65.51 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.692 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -62.89 -19.2 63.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.245 -179.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -58.68 -23.74 59.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.455 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -68.81 -21.89 64.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.975 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -24.4 65.55 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.742 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.59 -32.23 73.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.122 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.77 -36.2 80.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.935 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.18 -37.08 81.67 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.65 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -62.48 -36.66 83.2 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.459 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.37 -35.73 81.37 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.38 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 61.33 29.37 18.56 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 110.656 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 51' ' ' ASP . 67.5 t0 -62.24 -37.74 86.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.623 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 88.7 t80 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.411 -179.934 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.471 -1.451 . . . . 0.0 109.471 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 m 55.26 31.39 16.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.688 0.28 . . . . 0.0 110.631 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.57 -40.11 87.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.634 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -65.09 -21.43 66.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.699 0.285 . . . . 0.0 110.938 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -85.69 -167.8 1.98 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.234 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 mt 56.85 27.85 13.59 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.948 0.404 . . . . 0.0 110.173 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.1 m -67.24 -40.09 86.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.322 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.31 -23.06 66.91 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.477 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.44 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 97.7 m-20 -63.19 -36.65 84.35 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.773 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.21 -25.56 67.87 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.94 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.14 -38.28 88.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.06 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.624 ' N ' HD12 ' A' ' 12' ' ' LEU . 8.0 mp -62.45 -38.96 91.81 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 120.544 -0.462 . . . . 0.0 111.173 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 9' ' ' ASP . 26.2 mp0 -70.49 -24.84 62.92 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.705 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -60.58 -37.71 82.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.488 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.609 ' N ' HD12 ' A' ' 15' ' ' LEU . 8.0 mp -61.92 -37.68 85.59 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.504 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.82 -36.86 84.59 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.45 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.36 -36.79 83.35 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.585 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.39 -38.4 89.48 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.474 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.52 -23.0 67.13 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.455 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.07 -17.63 34.59 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.805 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.1 -38.3 90.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.749 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -68.98 -19.15 64.14 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.921 -179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.64 81.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.672 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -62.03 -39.2 91.51 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.106 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.4 tp -63.94 -39.09 93.36 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.323 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.24 -36.67 84.42 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.5 mmm-85 -63.17 -36.73 84.59 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.397 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.4 mt -82.28 -15.13 54.08 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.774 0.321 . . . . 0.0 110.454 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.59 -38.33 87.18 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.466 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.4 p -61.6 -34.75 76.18 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.476 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.23 -36.73 84.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.586 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 54.54 37.37 27.81 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.86 0.362 . . . . 0.0 110.357 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -60.85 -46.59 89.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.848 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.443 ' O ' ' OD1' ' A' ' 34' ' ' ASP . 56.6 p-10 -75.69 143.48 42.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.999 0.428 . . . . 0.0 111.169 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -80.82 -5.54 57.38 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.535 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.5 t0 -59.81 -35.81 75.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.995 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.66 -36.22 75.99 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.377 -0.529 . . . . 0.0 109.987 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.36 -36.78 83.32 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.631 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -66.22 -21.66 66.31 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.77 0.319 . . . . 0.0 110.8 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.19 -19.48 61.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -58.9 -19.93 46.83 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.487 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -61.62 -37.8 85.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.493 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -68.39 -22.9 64.62 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.662 0.268 . . . . 0.0 111.006 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -25.95 67.3 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.863 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.591 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.0 mm? -63.13 -37.05 85.69 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.567 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -63.2 -35.86 81.72 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.553 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.65 -36.6 81.27 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.02 -37.71 85.9 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.785 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.6 mt -76.02 -18.25 59.34 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.835 0.35 . . . . 0.0 110.164 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 58.65 29.0 17.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.474 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -88.16 4.47 45.43 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.53 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.662 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t -61.58 -39.49 91.35 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.134 -0.226 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.82 -40.56 89.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.607 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.04 -36.47 84.09 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.078 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -62.27 -39.15 91.95 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.202 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.1 mt 55.9 30.73 16.49 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.828 0.347 . . . . 0.0 110.222 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.3 m -64.71 -40.38 95.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.46 -18.95 62.28 Favored 'General case' 0 CA--C 1.522 -0.132 0 CA-C-O 120.901 0.381 . . . . 0.0 110.204 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 64.9 t0 -62.13 -36.44 81.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.638 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.23 -29.99 70.17 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.503 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.87 -37.66 85.35 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.561 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.12 -36.63 84.25 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.394 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.79 -36.22 83.16 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.581 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -64.07 -28.81 70.04 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.671 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.65 -27.46 68.39 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.437 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.25 -25.95 68.28 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.422 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -61.86 -36.52 81.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.548 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.43 -37.51 86.12 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.362 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.84 -25.31 67.45 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.467 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.46 -24.59 67.53 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.3 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.02 -37.63 85.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.398 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.16 -35.85 80.07 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.679 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.54 -27.0 68.3 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.391 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.99 -37.44 84.83 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.973 -0.291 . . . . 0.0 110.265 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.26 -34.19 77.14 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.569 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -63.59 -26.84 68.87 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.969 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.17 -36.27 81.34 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.567 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.403 HD12 ' OE1' ' A' ' 31' ' ' GLU . 60.7 tp -62.22 -38.61 89.86 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.296 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -61.41 -39.09 89.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.699 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.9 p -62.92 -33.8 76.09 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.583 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 33' ' ' HIS . 98.9 mt-10 -63.0 -36.19 82.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.712 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 58.55 -76.61 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.712 0.291 . . . . 0.0 110.625 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 31' ' ' GLU . 64.7 t-80 -93.35 -105.24 0.13 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.457 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' N ' ' ND1' ' A' ' 33' ' ' HIS . 53.5 t0 50.59 46.42 25.61 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.891 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -101.08 7.88 43.13 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 110.484 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.427 ' O ' ' OD1' ' A' ' 36' ' ' ASP . 67.0 t0 -62.28 -36.59 82.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.55 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.72 -33.98 74.98 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.349 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.1 -36.83 82.89 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.678 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.83 -35.96 81.65 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.6 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.28 -19.87 65.7 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.7 0.286 . . . . 0.0 110.785 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.21 -37.52 80.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.721 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -62.44 -36.33 82.07 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.507 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.529 ' CD ' ' N ' ' A' ' 43' ' ' LYS . 0.5 OUTLIER -66.12 -23.02 66.42 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.729 0.299 . . . . 0.0 110.838 -179.713 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.432 ' O ' ' OD1' ' A' ' 47' ' ' ASP . . . -60.74 -23.05 64.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.732 -179.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.6 mt -64.76 -31.72 73.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.585 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.62 -36.32 80.41 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.847 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 44' ' ' ALA . 97.1 m-20 54.01 37.84 27.64 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.506 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.36 -38.38 86.78 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.758 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.64 -28.49 69.15 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.564 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.73 -25.92 67.73 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.542 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 52' ' ' TYR . 98.3 m-20 -61.66 -36.9 82.14 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.503 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.519 ' CG ' ' OXT' ' A' ' 52' ' ' TYR . 93.1 t80 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.422 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 m 55.13 32.23 17.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 110.637 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.39 -40.45 89.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.624 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -63.69 -37.59 87.93 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.911 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -63.1 -39.57 95.08 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.414 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.74 -36.27 83.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.7 m -63.93 -41.2 97.7 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.88 -21.36 62.41 Favored 'General case' 0 CA--C 1.522 -0.119 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -77.45 -16.64 58.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.612 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.39 -36.59 78.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.516 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -60.18 -25.38 65.52 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.753 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.4 mt -80.26 -16.61 54.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.26 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.77 -37.21 85.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.656 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -62.68 -36.39 82.76 Favored 'General case' 0 C--O 1.232 0.178 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.746 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.86 -39.0 90.34 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.403 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.5 -38.41 87.22 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.805 -0.358 . . . . 0.0 110.348 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.12 -36.57 82.16 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 120.846 -0.341 . . . . 0.0 110.637 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.28 -34.65 78.15 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 120.894 -0.323 . . . . 0.0 110.484 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.9 -23.4 66.3 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.609 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.26 -27.2 68.29 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.484 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -63.12 -35.29 79.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.489 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.49 -35.1 78.28 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.752 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.26 -26.93 68.1 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.766 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.54 -25.72 67.57 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.766 0.317 . . . . 0.0 110.459 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.92 -26.03 66.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.325 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.07 -36.13 80.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.964 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.2 mtp85 -62.11 -36.74 82.65 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.678 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.643 ' N ' HD12 ' A' ' 28' ' ' LEU . 7.7 mp -63.42 -36.21 82.98 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.462 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -60.76 -29.65 69.53 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.029 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 68.2 m -58.56 -16.21 14.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.592 0.234 . . . . 0.0 111.023 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -59.91 -18.71 46.98 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.839 -0.345 . . . . 0.0 110.679 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 37.4 ptt-85 -55.58 135.07 51.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.956 0.408 . . . . 0.0 110.518 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.496 ' O ' ' ND1' ' A' ' 35' ' ' HIS . 56.0 p-80 -92.09 -12.94 31.65 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.086 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.91 -37.75 88.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.665 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.496 ' ND1' ' O ' ' A' ' 33' ' ' HIS . 77.2 m80 55.23 31.65 16.95 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.204 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -93.06 -3.41 54.32 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.78 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -88.73 -11.65 44.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.857 0.36 . . . . 0.0 110.329 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -61.45 -23.36 65.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.217 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.63 -35.8 80.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.509 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.34 -21.96 66.58 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.703 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.01 -37.04 81.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.423 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -60.61 -38.13 83.7 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -62.18 -36.74 82.81 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.87 -14.86 10.14 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.858 0.361 . . . . 0.0 111.056 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.9 tp -57.92 -37.36 73.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 -178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -61.5 -7.54 3.28 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.362 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.6 t0 56.97 39.75 29.2 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 53.89 37.38 26.43 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.686 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.4 mt 55.8 28.35 12.21 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.495 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.39 -21.4 66.62 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.513 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' TYR . 55.8 p30 -85.17 7.79 20.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.717 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.402 ' O ' ' O ' ' A' ' 51' ' ' ASP . 52.2 p90 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.992 -1.004 . . . . 0.0 111.152 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.6 p -66.02 -20.77 66.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.975 0.416 . . . . 0.0 110.203 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.6 m 34.01 35.32 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.139 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.86 -36.65 83.96 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.685 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -60.42 -44.49 95.72 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.147 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 tp -62.95 -38.61 91.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.348 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 46.2 p -69.55 -31.19 69.23 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.85 0.357 . . . . 0.0 111.127 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.72 -18.46 54.52 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.264 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.37 -35.03 76.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.722 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.22 -37.29 79.85 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.783 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.59 -36.7 84.68 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.582 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.4 -35.26 80.32 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.06 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -63.77 -35.05 79.31 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.009 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.6 mmm-85 -60.59 -36.42 78.49 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.442 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.6 tp -61.47 -38.89 88.88 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.553 -0.459 . . . . 0.0 109.99 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -61.52 -38.09 86.13 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.338 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 63.4 t-20 -60.28 -37.26 79.93 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.462 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -63.06 -35.46 80.31 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.422 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.47 -24.21 67.33 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.482 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.22 -24.74 67.4 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.333 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.37 -36.02 80.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.49 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.39 -37.45 85.79 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 120.919 -0.313 . . . . 0.0 110.468 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.42 -27.83 68.82 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.432 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.3 -37.89 87.27 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.371 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.4 mt -62.81 -36.1 82.06 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.392 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.86 -38.17 87.26 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.458 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -62.8 -36.74 84.13 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.51 -39.07 92.32 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.475 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.51 -38.52 87.67 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.113 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.503 ' O ' ' CE1' ' A' ' 33' ' ' HIS . 91.9 p -61.78 -33.67 74.51 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.61 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.5 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 98.9 mt-10 -62.94 -36.48 83.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.676 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -69.38 130.96 44.01 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.251 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.503 ' CE1' ' O ' ' A' ' 30' ' ' SER . 97.7 m-70 -137.35 167.46 21.55 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.184 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -75.14 -11.9 60.19 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.457 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -100.14 9.87 42.14 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.645 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 54.6 p-10 -85.17 5.1 31.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.939 0.4 . . . . 0.0 110.708 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -61.63 -38.23 86.88 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.354 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.61 -38.72 88.66 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.609 -0.437 . . . . 0.0 111.441 -178.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 39' ' ' GLU . 58.9 mp0 -67.47 -29.16 68.54 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.292 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.87 -24.46 67.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.408 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.12 -36.08 80.69 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.39 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -63.02 -36.6 84.1 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.699 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.42 -37.14 84.7 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.578 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.68 -22.96 62.68 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 120.816 -0.353 . . . . 0.0 111.203 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 45' ' ' LEU . 96.9 mt -63.36 -35.24 79.75 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.393 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -64.15 -24.84 67.83 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.762 0.315 . . . . 0.0 110.358 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 47' ' ' ASP . 67.2 t0 -60.6 -37.16 80.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.464 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -72.57 148.77 44.61 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.1 mp 54.01 23.66 4.17 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 118.486 0.584 . . . . 0.0 109.909 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.56 -33.42 73.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.656 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.96 -37.26 79.08 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.929 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 93.4 t80 . . . . . 0 C--O 1.221 -0.4 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.561 179.843 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.379 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.0 p -81.84 -8.47 59.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.798 0.332 . . . . 0.0 110.708 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.5 t -62.69 -40.0 86.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.241 -179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -64.07 -19.87 65.54 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.166 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -60.79 -43.83 97.59 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.634 -0.426 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.61 -29.69 69.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.438 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.7 m -64.64 -41.4 96.17 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.96 -19.19 52.31 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.926 0.393 . . . . 0.0 110.129 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.07 -36.55 83.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.552 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.48 -28.15 69.63 Favored 'General case' 0 N--CA 1.463 0.195 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.645 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -70.07 -24.37 63.23 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.691 0.282 . . . . 0.0 110.84 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.7 mt -70.2 -16.4 63.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.709 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -52.35 -21.02 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.506 -179.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -61.29 -38.36 86.51 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.425 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.87 -35.34 80.31 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.256 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.0 -25.37 68.1 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.507 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -61.17 -36.34 79.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.36 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.47 -37.45 85.98 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.425 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.71 -25.5 67.46 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.555 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.97 -35.56 77.12 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.239 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.06 -35.75 79.58 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.41 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.63 -37.6 84.56 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.204 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.05 -34.95 75.68 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.503 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -63.95 -24.84 67.88 Favored 'General case' 0 C--N 1.334 -0.078 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.32 -35.26 76.89 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.485 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.427 ' C ' ' N ' ' A' ' 28' ' ' LEU . 80.7 mm-40 -59.9 -17.97 41.19 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.14 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.412 ' O ' ' OG ' ' A' ' 30' ' ' SER . 15.5 ptm180 -48.62 -17.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.033 0.444 . . . . 0.0 110.544 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 26' ' ' GLU . 59.6 tp -58.71 -36.48 74.32 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.281 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -57.51 -26.22 61.01 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.098 -178.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 27' ' ' ARG . 95.4 p -63.23 -22.81 67.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.898 0.38 . . . . 0.0 110.235 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.4 -37.19 84.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.406 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 56.8 38.89 29.78 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 110.534 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -60.56 -46.54 89.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.418 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -158.24 169.09 25.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.536 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 57.69 36.68 26.87 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.574 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.72 -35.49 78.21 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.839 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -59.7 -36.78 77.2 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.111 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.26 -38.29 86.16 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.02 -29.29 70.19 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.557 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.95 -24.21 67.77 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.624 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.87 -35.22 79.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.474 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -62.58 -36.4 82.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.75 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -67.06 -23.06 65.84 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.699 0.285 . . . . 0.0 111.07 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.13 65.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.719 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.2 mt -66.19 -29.06 69.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.349 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.93 -38.03 86.91 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.263 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.52 -36.76 81.46 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.649 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.67 -38.64 88.5 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.379 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.4 mt -81.75 -10.9 59.24 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.894 0.378 . . . . 0.0 110.301 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.06 -4.85 59.26 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.734 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.528 ' OD1' ' CD1' ' A' ' 52' ' ' TYR . 55.4 p30 -82.7 0.84 41.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.134 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.528 ' CD1' ' OD1' ' A' ' 51' ' ' ASP . 97.5 m-85 . . . . . 0 N--CA 1.467 0.414 0 CA-C-O 117.89 -1.052 . . . . 0.0 110.465 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.311 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.9 p -63.58 -23.23 67.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.551 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.2 t -63.52 -39.97 87.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.44 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.5 -37.32 85.55 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.701 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.01 -43.67 98.54 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.937 0.398 . . . . 0.0 110.047 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.5 -36.1 82.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.59 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.0 m -63.78 -40.32 96.39 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.011 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.54 -21.97 66.66 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.96 0.409 . . . . 0.0 110.076 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 9' ' ' ASP . 62.5 t0 -63.35 -35.05 79.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.534 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.0 79.84 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.72 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.28 -36.75 84.72 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.409 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.4 -35.7 81.76 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 120.926 -0.309 . . . . 0.0 110.378 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.96 -35.91 82.25 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.787 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -63.98 -26.21 68.48 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.365 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.07 -38.85 90.37 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.097 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -70.35 -19.79 63.02 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -97.05 9.28 42.53 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.359 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.91 -37.78 85.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.446 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.8 -36.57 79.37 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.673 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.03 -36.74 80.36 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.594 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.12 -37.95 87.1 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.385 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 98.8 mt-10 -62.68 -36.12 81.87 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.667 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -25.15 67.78 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.614 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.91 -37.68 87.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.23 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.0 -40.7 94.54 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.934 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' A' ' 22' ' ' GLU . 59.3 mp0 -64.12 -36.49 84.22 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.411 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -63.11 -35.84 81.61 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.601 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 33' ' ' HIS . 60.3 tp -61.74 -39.16 90.58 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 120.884 -0.327 . . . . 0.0 110.509 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -61.23 -38.39 86.46 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.563 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.8 m -61.68 -36.55 81.19 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.653 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.08 -36.22 81.04 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.628 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 54.77 44.8 27.91 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.558 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.411 ' CE1' HD11 ' A' ' 28' ' ' LEU . 55.7 p-80 -70.43 -174.21 0.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.37 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -85.96 110.6 19.57 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.851 0.358 . . . . 0.0 110.418 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -70.24 -12.04 61.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.384 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -72.66 -10.19 59.5 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.79 -179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -62.75 -27.04 69.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.461 -179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -59.64 -22.26 61.62 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.48 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -66.22 -26.0 67.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.473 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.71 -23.83 67.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.443 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.1 -36.02 80.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.499 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.81 -36.68 83.96 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.555 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -62.91 -36.95 85.05 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.66 -21.8 61.01 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 120.866 -0.333 . . . . 0.0 111.223 -178.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.6 -28.54 69.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.41 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.2 -28.82 69.42 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.623 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' O ' ' O ' ' A' ' 50' ' ' ALA . 97.5 m-20 -64.52 -10.42 25.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.021 -179.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -56.37 -21.67 26.29 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.432 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.62 -39.14 90.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.45 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 47' ' ' ASP . . . -150.87 150.6 31.09 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.84 -37.04 83.0 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 118.546 0.612 . . . . 0.0 110.718 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 91.1 t80 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.327 -179.92 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.3 p -63.64 -23.21 67.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.765 0.316 . . . . 0.0 110.647 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.7 t -63.42 -40.38 88.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.535 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.58 -37.7 87.24 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.66 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt 54.98 32.73 18.68 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.352 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 93.4 mt -99.72 0.12 41.17 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.806 0.336 . . . . 0.0 110.487 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 9' ' ' ASP . 84.8 m -63.64 132.85 52.41 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.162 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.34 86.07 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 119.985 -0.686 . . . . 0.0 109.704 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.413 ' H ' HG22 ' A' ' 7' ' ' THR . 98.0 m-20 -63.38 -35.15 79.45 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.25 -37.37 82.85 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.603 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.98 -37.03 85.91 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.678 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.94 -33.8 76.91 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.546 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -62.75 -35.18 78.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.098 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -59.98 -38.99 84.14 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.015 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.619 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.3 mm? -63.15 -37.95 89.23 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.48 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -69.65 -23.59 63.5 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.274 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -98.22 9.3 43.28 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.452 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.42 -37.82 87.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.38 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.13 -25.52 67.79 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.609 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.17 -26.21 68.2 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.438 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.61 -36.21 82.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.686 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -64.87 -21.31 66.78 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.862 0.363 . . . . 0.0 110.807 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.48 -20.16 59.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.016 -179.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -59.38 -20.46 54.99 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.346 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.5 mt -66.88 -27.96 67.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.272 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.78 -37.87 85.92 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.699 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.45 -37.05 84.4 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.674 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.8 mt -81.07 -15.3 56.39 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 120.822 0.344 . . . . 0.0 110.536 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.717 ' HZ1' ' HA ' ' A' ' 35' ' ' HIS . 65.1 tttm -62.46 -37.06 84.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.656 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 93.7 p -62.35 -21.05 65.0 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.575 0.226 . . . . 0.0 111.287 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -64.05 -21.58 66.58 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.435 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -124.76 149.12 47.66 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.409 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.41 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 58.6 t-80 -85.51 49.71 1.81 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.335 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.422 ' OD1' ' NZ ' ' A' ' 29' ' ' LYS . 57.0 p30 -90.43 11.15 22.48 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.724 0.297 . . . . 0.0 110.683 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.717 ' HA ' ' HZ1' ' A' ' 29' ' ' LYS . 97.2 m-70 -65.11 -25.56 67.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.591 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.5 -25.78 68.41 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.288 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -60.52 -37.54 81.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.335 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -61.83 -37.24 83.71 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.606 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.41 -36.52 84.02 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.326 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.3 -14.82 56.93 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.74 0.305 . . . . 0.0 110.811 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.3 -37.4 80.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.428 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.9 ptt85 -59.9 -25.11 64.84 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.672 -179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -62.95 -36.45 83.48 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.842 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.79 -20.99 54.93 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.014 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.12 -28.62 69.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.172 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.0 tp10 -61.87 -38.02 86.71 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 109.941 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 52.8 t0 54.41 37.44 27.65 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 121.06 -0.256 . . . . 0.0 110.819 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 50.75 35.39 11.87 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.596 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.3 tp -63.63 -39.12 93.54 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.499 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.44 -37.26 82.88 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.699 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 52' ' ' TYR . 98.1 m-20 -61.6 -37.04 82.44 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.61 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.406 ' O ' ' O ' ' A' ' 51' ' ' ASP . 90.3 t80 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.572 179.837 . . . . . . . . 1 1 . 1 stop_ save_