data_2lqy_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2lqy _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.435 HD22 ' H ' ' A' ' 3' ' ' LEU . 1.4 pt? . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.88 -24.84 39.54 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.042 0.937 . . . . 0.0 112.923 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -103.49 -24.89 13.4 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.001 1.321 . . . . 0.0 112.319 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.9 m -56.33 -27.68 56.53 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.62 1.168 . . . . 0.0 112.144 171.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.22 7.97 38.16 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.2 m -106.13 -12.01 15.9 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.98 1.312 . . . . 0.0 110.433 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.474 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 0.4 OUTLIER -107.38 -54.51 2.47 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.406 0.682 . . . . 0.0 112.315 177.275 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.37 -29.59 61.63 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 171.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.95 -0.18 10.83 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.474 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 33.8 t60 -105.26 -9.88 17.39 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.453 1.501 . . . . 0.0 111.544 174.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.825 0 C-N-CA 124.289 1.036 . . . . 0.0 111.125 -176.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.84 -25.3 41.27 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 173.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -96.0 -26.07 15.69 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.99 1.316 . . . . 0.0 112.629 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.12 -28.83 66.9 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.792 0.806 . . . . 0.0 111.835 174.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mt -90.37 4.76 49.93 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 114.226 -1.352 . . . . 0.0 112.956 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 m -107.64 -8.31 16.18 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.424 1.49 . . . . 0.0 109.782 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.58 -51.06 2.96 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.106 -0.996 . . . . 0.0 111.776 175.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -29.11 68.1 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 173.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.11 2.28 6.08 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 173.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -107.74 8.92 29.12 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 121.624 0.726 . . . . 0.0 111.421 175.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 N--CA 1.476 0.86 0 C-N-CA 125.011 1.324 . . . . 0.0 110.836 -179.911 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.412 HD22 ' H ' ' A' ' 3' ' ' LEU . 1.4 pt? . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.27 -24.88 45.81 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 173.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -97.61 -24.39 15.56 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.894 1.278 . . . . 0.0 112.466 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.88 -28.87 67.92 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.954 0.902 . . . . 0.0 111.827 173.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -91.12 7.34 41.08 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 114.266 -1.334 . . . . 0.0 113.112 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.7 m -106.56 -13.1 15.41 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.98 1.312 . . . . 0.0 110.387 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.09 -53.16 2.79 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.928 0.891 . . . . 0.0 112.535 176.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -29.91 68.35 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 174.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.42 -2.46 13.85 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.565 1.321 . . . . 0.0 114.565 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -109.81 12.03 24.14 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.364 1.066 . . . . 0.0 112.345 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 N--CA 1.474 0.76 0 C-N-CA 124.318 1.047 . . . . 0.0 112.176 177.113 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.44 HD22 ' H ' ' A' ' 3' ' ' LEU . 1.4 pt? . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.64 -24.64 49.8 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.994 0.918 . . . . 0.0 112.939 174.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -100.26 -27.29 13.57 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.178 1.391 . . . . 0.0 112.125 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.5 m -55.24 -28.59 54.3 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.325 1.05 . . . . 0.0 112.169 172.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.46 -0.28 55.7 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 173.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.0 m -101.34 -13.15 18.14 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.425 1.49 . . . . 0.0 110.717 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -102.52 -54.76 2.6 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.64 0.776 . . . . 0.0 112.62 176.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.85 -30.94 62.27 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 172.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.39 -1.64 11.28 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -109.91 13.18 23.57 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.301 1.04 . . . . 0.0 112.409 174.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 t80 . . . . . 0 N--CA 1.475 0.791 0 C-N-CA 123.954 0.902 . . . . 0.0 110.765 178.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.442 HD22 ' H ' ' A' ' 3' ' ' LEU . 1.4 pt? . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.73 -24.76 36.78 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.197 0.999 . . . . 0.0 112.863 174.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -104.94 -24.62 12.82 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.061 1.344 . . . . 0.0 112.246 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.9 m -56.56 -27.3 57.41 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.628 1.171 . . . . 0.0 112.152 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.7 mt -91.55 7.46 41.28 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 173.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.0 m -105.77 -12.66 15.8 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.353 1.461 . . . . 0.0 110.47 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.34 -55.09 2.38 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 176.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -29.8 62.86 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 171.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.28 0.21 10.51 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 173.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.36 14.1 21.57 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.235 1.014 . . . . 0.0 112.149 174.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 N--CA 1.476 0.826 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.965 -179.459 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.411 HD22 ' H ' ' A' ' 3' ' ' LEU . 1.4 pt? . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.62 -23.98 44.86 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 173.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -98.1 -24.55 15.26 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.89 1.276 . . . . 0.0 112.495 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.4 HG21 ' HA ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.84 -29.59 68.38 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.594 0.758 . . . . 0.0 111.801 174.031 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.26 5.3 45.49 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.859 175.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m -104.32 -12.8 16.4 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.31 1.044 . . . . 0.0 110.228 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.9 ttm105 -106.5 -52.08 2.84 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.932 0.493 . . . . 0.0 111.891 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -30.08 67.28 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 175.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.61 0.1 9.43 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 173.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -111.23 14.17 21.73 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.161 0.984 . . . . 0.0 112.078 173.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 N--CA 1.474 0.765 0 C-N-CA 124.037 0.935 . . . . 0.0 110.657 -179.675 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.14 -26.01 48.5 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 173.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 t -93.3 -26.9 17.11 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.758 1.623 . . . . 0.0 112.677 175.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.27 -29.4 67.55 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 121.664 0.745 . . . . 0.0 111.924 175.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.5 tp -85.41 -0.28 54.39 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 114.32 -1.309 . . . . 0.0 113.157 172.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.9 m -100.22 -11.69 20.19 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 121.143 -0.973 . . . . 0.0 111.089 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 -106.66 -53.23 2.65 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.143 0.977 . . . . 0.0 112.687 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -29.08 68.82 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 174.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.06 1.79 8.32 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 173.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.53 10.01 25.2 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.212 1.005 . . . . 0.0 112.259 173.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 N--CA 1.476 0.869 0 C-N-CA 125.192 1.397 . . . . 0.0 111.257 178.183 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.401 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -56.21 -24.57 42.82 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.177 0.991 . . . . 0.0 112.832 174.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -103.33 -24.68 13.49 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.793 1.237 . . . . 0.0 112.041 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.3 m -56.58 -28.4 60.17 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.577 1.151 . . . . 0.0 112.059 170.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.92 4.44 47.97 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 172.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.4 m -102.65 -12.79 17.45 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.89 1.276 . . . . 0.0 110.579 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.455 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 31.2 mtp180 -105.26 -51.56 3.0 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.588 0.755 . . . . 0.0 112.655 176.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -28.54 68.66 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 173.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.15 -0.81 10.53 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 172.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.455 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 33.9 t60 -104.03 -11.58 17.3 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.465 1.506 . . . . 0.0 111.634 174.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.803 0 C-N-CA 124.783 1.233 . . . . 0.0 110.898 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.408 HD22 ' H ' ' A' ' 3' ' ' LEU . 1.4 pt? . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.04 -25.07 43.2 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.296 1.038 . . . . 0.0 113.069 174.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.56 -26.26 13.29 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.55 1.54 . . . . 0.0 112.781 175.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.0 m -56.19 -28.28 57.64 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.596 1.158 . . . . 0.0 112.081 172.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -87.83 3.24 49.04 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 171.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.0 m -105.72 -13.87 15.42 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.35 1.46 . . . . 0.0 110.424 177.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.4 mtt-85 -96.59 -52.76 3.81 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -28.76 68.17 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 173.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.68 -4.35 15.37 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 172.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -109.95 12.46 23.75 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.593 1.157 . . . . 0.0 112.965 174.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 124.894 1.278 . . . . 0.0 112.784 177.534 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.97 -26.35 47.87 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 173.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 t -93.71 -25.27 17.52 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.935 1.294 . . . . 0.0 112.642 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.42 -29.09 67.5 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.352 0.661 . . . . 0.0 111.764 174.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.54 1.01 54.75 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.884 175.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.0 m -100.69 -12.46 19.13 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.578 1.151 . . . . 0.0 110.82 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -104.99 -54.15 2.54 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.051 1.34 . . . . 0.0 112.513 177.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -30.9 69.25 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 174.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.47 0.5 8.21 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -109.72 15.33 22.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.242 1.017 . . . . 0.0 112.272 173.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.478 0.926 0 C-N-CA 124.87 1.268 . . . . 0.0 112.24 177.587 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.3 -24.56 44.2 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 173.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.34 -24.37 15.68 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.738 1.215 . . . . 0.0 112.394 176.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.05 -29.4 68.5 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.786 0.834 . . . . 0.0 111.782 173.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.39 2.97 51.55 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.002 -0.999 . . . . 0.0 113.05 175.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.1 m -103.82 -12.65 16.8 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.749 1.219 . . . . 0.0 110.599 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 4.8 mmm180 -101.47 -53.74 2.92 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.336 1.454 . . . . 0.0 112.233 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -28.92 68.99 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 173.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.79 -2.68 12.74 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 172.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.468 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 38.1 t60 -104.02 -7.81 20.03 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.355 1.462 . . . . 0.0 111.729 174.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 N--CA 1.475 0.796 0 C-N-CA 123.895 0.878 . . . . 0.0 110.692 -175.271 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.424 HD22 ' H ' ' A' ' 3' ' ' LEU . 1.5 pt? . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 114.509 1.299 . . . . 0.0 114.509 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.44 -23.97 42.29 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.817 0.847 . . . . 0.0 112.713 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.81 -30.71 11.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.964 1.305 . . . . 0.0 112.073 177.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.62 -29.56 59.4 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.907 0.883 . . . . 0.0 112.919 171.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.5 mt -91.87 9.34 33.28 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.685 -1.143 . . . . 0.0 113.442 175.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -107.06 -12.36 15.43 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.632 1.173 . . . . 0.0 110.527 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 8.8 mtp180 -107.14 -52.28 2.79 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.895 0.878 . . . . 0.0 112.583 176.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -29.07 68.45 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 173.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.56 1.55 7.96 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 173.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.457 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 38.3 t60 -106.96 -12.28 15.49 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.704 1.602 . . . . 0.0 111.739 173.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 N--CA 1.476 0.874 0 C-N-CA 124.819 1.248 . . . . 0.0 111.89 -179.151 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.429 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.48 1.075 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.429 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -52.37 -27.29 15.05 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 171.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.96 -25.57 17.2 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.903 1.281 . . . . 0.0 112.905 175.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.85 -29.85 68.57 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.745 0.818 . . . . 0.0 111.621 174.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 pp -84.71 -3.73 58.7 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.734 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.1 m -96.82 -14.35 21.95 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.324 1.05 . . . . 0.0 110.817 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -103.05 -55.34 2.44 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 118.468 -0.777 . . . . 0.0 110.565 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -29.31 65.76 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.547 1.067 . . . . 0.0 113.183 176.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.91 7.62 2.48 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 172.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.37 -19.56 20.52 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.572 0.749 . . . . 0.0 111.418 171.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.669 0 C-N-CA 125.117 1.367 . . . . 0.0 110.029 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.425 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -52.34 -27.2 14.52 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 171.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.4 -25.44 16.93 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.92 1.288 . . . . 0.0 112.862 176.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.45 -29.51 67.85 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.882 0.873 . . . . 0.0 111.895 174.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mt -90.1 7.68 36.62 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.266 -1.333 . . . . 0.0 114.254 174.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.2 m -105.85 -12.99 15.65 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.842 1.257 . . . . 0.0 110.673 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.35 -53.32 2.74 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.402 1.081 . . . . 0.0 112.685 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -29.03 68.9 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 173.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.37 -1.87 11.9 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.86 4.45 25.43 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.422 1.089 . . . . 0.0 112.655 174.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 N--CA 1.474 0.753 0 C-N-CA 124.428 1.091 . . . . 0.0 110.042 179.221 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 113.537 0.939 . . . . 0.0 113.537 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.9 -28.13 15.23 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.126 0.97 . . . . 0.0 113.425 172.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -98.34 -22.05 16.3 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.874 1.27 . . . . 0.0 112.652 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.5 m -60.93 -29.28 69.52 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.488 1.115 . . . . 0.0 111.441 173.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp -80.06 -10.23 59.75 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.831 1.253 . . . . 0.0 113.169 170.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.8 m -94.27 -12.69 27.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.09 0.956 . . . . 0.0 110.725 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.0 mtm-85 -99.77 -52.77 3.36 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 176.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.86 -26.85 67.68 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 173.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.52 -5.24 14.24 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 172.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -102.28 12.57 36.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.523 0.729 . . . . 0.0 112.357 174.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 N--CA 1.475 0.816 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.223 179.375 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -57.57 -20.28 31.21 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 172.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -101.94 -20.84 14.68 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.391 1.076 . . . . 0.0 112.275 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -31.27 69.6 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.942 0.897 . . . . 0.0 111.781 174.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.35 -16.31 60.4 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.806 174.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.0 m -92.68 -12.44 31.48 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.698 1.199 . . . . 0.0 110.773 -177.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -104.72 -52.14 2.93 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -31.5 62.53 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 170.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.18 -2.48 10.52 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 173.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -109.08 13.43 24.57 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.3 1.04 . . . . 0.0 112.525 174.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 N--CA 1.474 0.725 0 C-N-CA 123.798 0.839 . . . . 0.0 110.493 -179.513 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.449 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -50.75 -28.35 9.02 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 172.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -89.94 -39.12 13.2 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.218 1.007 . . . . 0.0 112.105 177.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.6 p -58.07 -25.92 61.88 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.935 0.894 . . . . 0.0 113.229 172.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.54 7.25 46.79 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.558 1.143 . . . . 0.0 114.026 174.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.5 m -105.06 -13.79 15.62 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.412 1.485 . . . . 0.0 110.714 175.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.496 ' NH2' ' HE2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -100.1 -56.1 2.46 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.076 0.55 . . . . 0.0 111.349 176.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.68 -29.38 59.26 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 121.294 -0.879 . . . . 0.0 113.318 172.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.97 -3.57 13.41 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.496 ' HE2' ' NH2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -86.64 -24.08 25.44 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.843 0.857 . . . . 0.0 111.281 174.328 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.2 t80 . . . . . 0 N--CA 1.475 0.809 0 C-N-CA 124.852 1.261 . . . . 0.0 110.429 178.573 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.438 ' O ' HD11 ' A' ' 7' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.407 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.05 -27.36 44.08 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.547 0.739 . . . . 0.0 112.559 174.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 t -85.39 -44.68 12.57 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.096 1.359 . . . . 0.0 111.718 175.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -55.87 -25.6 43.16 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 175.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.438 HD11 ' O ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -95.77 9.43 40.46 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.958 1.303 . . . . 0.0 113.952 174.061 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.4 m -105.48 -13.4 15.64 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.707 1.603 . . . . 0.0 110.676 174.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.65 -53.79 2.63 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.193 0.597 . . . . 0.0 112.577 176.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.69 -29.3 67.99 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 174.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.75 11.19 1.79 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 172.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -116.55 8.52 13.96 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.439 1.096 . . . . 0.0 112.423 170.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 . . . . . 0 N--CA 1.477 0.916 0 C-N-CA 124.927 1.291 . . . . 0.0 110.868 177.836 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.413 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.9 -24.79 39.55 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.855 0.862 . . . . 0.0 112.726 173.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 t -90.87 -40.0 12.0 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.088 0.955 . . . . 0.0 111.884 175.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.0 p -57.87 -26.8 62.59 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 173.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 pp -88.41 -5.19 58.43 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.9 m -95.26 -13.19 25.08 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.153 1.381 . . . . 0.0 111.176 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -103.75 -50.01 3.52 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.61 -29.21 69.08 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 172.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.87 0.23 9.65 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 173.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.19 12.57 23.35 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.002 0.921 . . . . 0.0 112.385 174.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.796 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.905 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.413 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.13 -25.74 33.8 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.537 0.735 . . . . 0.0 112.574 174.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -91.36 -39.19 12.16 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.52 1.128 . . . . 0.0 111.805 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.1 p -58.29 -26.24 62.76 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.77 0.828 . . . . 0.0 113.227 172.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.14 9.35 39.94 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.478 1.111 . . . . 0.0 113.844 173.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.0 m -104.44 -11.31 17.13 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.737 1.215 . . . . 0.0 110.797 174.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.447 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 51.8 mtp180 -107.77 -52.93 2.69 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 177.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.28 -28.87 68.42 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 173.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.62 10.67 2.02 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 173.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.447 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 31.5 t60 -112.93 -8.65 13.68 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.629 1.572 . . . . 0.0 111.52 171.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.775 0 C-N-CA 124.615 1.166 . . . . 0.0 110.628 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 24.7 m80 . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.73 -88.21 0.07 OUTLIER Glycine 0 N--CA 1.475 1.262 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.435 HD22 ' H ' ' A' ' 3' ' ' LEU . 1.4 pt? -63.2 -37.01 85.53 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 113.441 -1.379 . . . . 0.0 114.3 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.88 -24.84 39.54 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.042 0.937 . . . . 0.0 112.923 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -103.49 -24.89 13.4 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.001 1.321 . . . . 0.0 112.319 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.9 m -56.33 -27.68 56.53 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.62 1.168 . . . . 0.0 112.144 171.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.22 7.97 38.16 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.2 m -106.13 -12.01 15.9 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.98 1.312 . . . . 0.0 110.433 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.474 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 0.4 OUTLIER -107.38 -54.51 2.47 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.406 0.682 . . . . 0.0 112.315 177.275 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.518 ' CZ3' ' HB2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -56.37 -29.59 61.63 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 171.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.95 -0.18 10.83 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.474 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 33.8 t60 -105.26 -9.88 17.39 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.453 1.501 . . . . 0.0 111.544 174.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.52 -68.7 0.79 Allowed 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.289 1.036 . . . . 0.0 111.125 -176.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.518 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 24.2 t30 -62.35 -9.77 9.19 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 114.812 -1.086 . . . . 0.0 112.522 172.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.65 -26.96 6.04 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.024 0.749 . . . . 0.0 113.024 172.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mt -104.07 -30.02 10.51 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.866 1.266 . . . . 0.0 113.399 175.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.0 mt -83.32 9.62 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 C-N-CA 124.687 1.195 . . . . 0.0 111.784 175.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -93.87 144.99 24.94 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.491 1.138 . . . . 0.0 109.18 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.57 -56.55 1.96 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 112.966 -1.924 . . . . 0.0 111.615 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.9 t80 . . . . . 0 C--O 1.253 1.24 0 CA-C-O 117.421 -1.276 . . . . 0.0 111.79 -179.415 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 . . . . . 0 CA--C 1.546 0.807 0 CA-C-O 121.004 0.43 . . . . 0.0 111.375 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.08 -83.86 0.06 OUTLIER Glycine 0 N--CA 1.477 1.407 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.12 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -64.7 -35.46 81.12 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 175.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.84 -25.3 41.27 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 173.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -96.0 -26.07 15.69 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.99 1.316 . . . . 0.0 112.629 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.12 -28.83 66.9 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.792 0.806 . . . . 0.0 111.835 174.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mt -90.37 4.76 49.93 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 114.226 -1.352 . . . . 0.0 112.956 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 m -107.64 -8.31 16.18 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.424 1.49 . . . . 0.0 109.782 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.58 -51.06 2.96 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.106 -0.996 . . . . 0.0 111.776 175.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -29.11 68.1 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 173.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.11 2.28 6.08 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 173.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -107.74 8.92 29.12 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 121.624 0.726 . . . . 0.0 111.421 175.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -117.45 -75.87 0.58 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.011 1.324 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -54.87 -22.99 16.46 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.817 0.847 . . . . 0.0 112.177 175.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.82 -41.58 64.34 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.615 -0.678 . . . . 0.0 112.49 173.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.35 -22.48 11.69 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 177.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.3 mm -87.33 11.45 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 C-N-CA 124.595 1.158 . . . . 0.0 110.391 174.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.28 148.66 51.52 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.305 -0.872 . . . . 0.0 110.418 175.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -172.26 -55.0 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 113.102 -1.863 . . . . 0.0 110.647 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 117.629 -1.177 . . . . 0.0 113.766 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.87 -82.73 0.06 OUTLIER Glycine 0 N--CA 1.475 1.289 0 CA-C-N 113.89 -1.505 . . . . 0.0 111.426 -177.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.412 HD22 ' H ' ' A' ' 3' ' ' LEU . 1.4 pt? -64.94 -35.81 82.36 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 176.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.27 -24.88 45.81 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 173.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -97.61 -24.39 15.56 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.894 1.278 . . . . 0.0 112.466 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.88 -28.87 67.92 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.954 0.902 . . . . 0.0 111.827 173.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -91.12 7.34 41.08 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 114.266 -1.334 . . . . 0.0 113.112 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.7 m -106.56 -13.1 15.41 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.98 1.312 . . . . 0.0 110.387 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.09 -53.16 2.79 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.928 0.891 . . . . 0.0 112.535 176.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.497 ' CZ3' ' HB3' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -59.63 -29.91 68.35 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 174.29 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.42 -2.46 13.85 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.565 1.321 . . . . 0.0 114.565 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -109.81 12.03 24.14 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.364 1.066 . . . . 0.0 112.345 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -114.59 -65.93 1.14 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.318 1.047 . . . . 0.0 112.176 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.497 ' HB3' ' CZ3' ' A' ' 10' ' ' TRP . 8.5 p-10 -55.93 -20.52 16.35 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.343 173.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.26 -40.57 61.89 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.031 0.832 . . . . 0.0 112.509 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.18 -27.69 9.44 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.148 175.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.412 HG21 ' O ' ' A' ' 17' ' ' ILE . 41.3 mt -83.62 14.02 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-O 122.308 1.051 . . . . 0.0 111.162 175.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -177.35 1.61 Allowed 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.705 -1.247 . . . . 0.0 111.262 175.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.91 40.82 1.27 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 113.723 -1.581 . . . . 0.0 110.989 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.3 t80 . . . . . 0 C--O 1.252 1.213 0 CA-C-O 117.33 -1.319 . . . . 0.0 112.392 178.914 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.95 -87.52 0.07 OUTLIER Glycine 0 N--CA 1.476 1.338 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 177.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.44 HD22 ' H ' ' A' ' 3' ' ' LEU . 1.4 pt? -64.02 -36.48 84.11 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 113.536 -1.332 . . . . 0.0 114.398 178.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.64 -24.64 49.8 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.994 0.918 . . . . 0.0 112.939 174.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -100.26 -27.29 13.57 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.178 1.391 . . . . 0.0 112.125 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.5 m -55.24 -28.59 54.3 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.325 1.05 . . . . 0.0 112.169 172.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.46 -0.28 55.7 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 173.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.0 m -101.34 -13.15 18.14 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.425 1.49 . . . . 0.0 110.717 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -102.52 -54.76 2.6 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.64 0.776 . . . . 0.0 112.62 176.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -55.85 -30.94 62.27 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 172.422 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.39 -1.64 11.28 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -109.91 13.18 23.57 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.301 1.04 . . . . 0.0 112.409 174.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -117.87 -70.38 0.8 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.954 0.902 . . . . 0.0 110.765 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 10' ' ' TRP . 24.8 p-10 -60.37 -12.61 9.76 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.874 173.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.28 -26.03 2.76 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.97 0.908 . . . . 0.0 112.728 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.9 mt -104.68 -30.08 10.18 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.786 1.234 . . . . 0.0 113.008 174.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.433 ' HB ' ' HA ' ' A' ' 14' ' ' ASN . 16.0 mm -83.7 10.36 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 124.536 1.134 . . . . 0.0 111.776 176.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.1 151.45 8.54 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.042 1.737 . . . . 0.0 110.494 -176.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.98 52.54 2.06 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 114.196 -1.365 . . . . 0.0 111.257 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.8 t80 . . . . . 0 N--CA 1.483 1.204 0 CA-C-N 114.021 -1.445 . . . . 0.0 112.207 178.59 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 55.5 m80 . . . . . 0 CA--C 1.55 0.975 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.15 -88.88 0.07 OUTLIER Glycine 0 N--CA 1.477 1.368 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.442 HD22 ' H ' ' A' ' 3' ' ' LEU . 1.4 pt? -62.93 -36.75 84.44 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 178.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.73 -24.76 36.78 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.197 0.999 . . . . 0.0 112.863 174.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -104.94 -24.62 12.82 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.061 1.344 . . . . 0.0 112.246 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.9 m -56.56 -27.3 57.41 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.628 1.171 . . . . 0.0 112.152 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.7 mt -91.55 7.46 41.28 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 173.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.0 m -105.77 -12.66 15.8 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.353 1.461 . . . . 0.0 110.47 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.34 -55.09 2.38 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 176.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -56.72 -29.8 62.86 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 171.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.28 0.21 10.51 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 173.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.36 14.1 21.57 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.235 1.014 . . . . 0.0 112.149 174.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -121.24 -63.65 1.31 Allowed 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.965 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 64.0 t30 -58.53 -14.71 8.68 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.712 -1.131 . . . . 0.0 113.726 173.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.16 -27.77 9.44 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.695 0.798 . . . . 0.0 112.639 170.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mp -102.05 -30.14 11.36 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 173.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.407 HG21 ' O ' ' A' ' 17' ' ' ILE . 13.5 mm -86.11 15.97 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 124.238 1.015 . . . . 0.0 111.302 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.63 108.09 0.07 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.377 2.271 . . . . 0.0 113.149 178.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.16 64.24 1.15 Allowed 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 114.517 -1.219 . . . . 0.0 112.238 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 116.82 -1.562 . . . . 0.0 113.432 -176.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 29.7 p80 . . . . . 0 CA--C 1.544 0.749 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.36 -82.74 0.06 OUTLIER Glycine 0 N--CA 1.476 1.321 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.318 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.411 HD22 ' H ' ' A' ' 3' ' ' LEU . 1.4 pt? -64.93 -35.76 82.2 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 176.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.62 -23.98 44.86 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 173.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -98.1 -24.55 15.26 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.89 1.276 . . . . 0.0 112.495 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.4 HG21 ' HA ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.84 -29.59 68.38 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.594 0.758 . . . . 0.0 111.801 174.031 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.26 5.3 45.49 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.859 175.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m -104.32 -12.8 16.4 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.31 1.044 . . . . 0.0 110.228 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.9 ttm105 -106.5 -52.08 2.84 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.932 0.493 . . . . 0.0 111.891 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.511 ' CZ3' ' HB3' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -58.77 -30.08 67.28 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 175.096 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.61 0.1 9.43 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 173.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -111.23 14.17 21.73 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.161 0.984 . . . . 0.0 112.078 173.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -118.62 -66.13 1.11 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.037 0.935 . . . . 0.0 110.657 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.511 ' HB3' ' CZ3' ' A' ' 10' ' ' TRP . 9.6 p30 -59.79 -14.53 15.17 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.581 172.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.62 -26.85 2.46 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.635 0.774 . . . . 0.0 112.707 176.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tt -104.07 -31.37 9.71 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.63 174.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.411 ' HB ' ' HA ' ' A' ' 14' ' ' ASN . 14.8 mm -82.0 11.66 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 124.208 1.003 . . . . 0.0 111.192 175.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.19 -42.86 99.41 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.778 0.831 . . . . 0.0 110.378 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 45.23 59.19 3.65 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 123.452 1.596 . . . . 0.0 111.506 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.4 t80 . . . . . 0 C--O 1.251 1.15 0 CA-C-N 112.828 -1.987 . . . . 0.0 112.645 -176.296 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 122.673 1.225 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.61 -85.88 0.07 OUTLIER Glycine 0 N--CA 1.478 1.48 0 CA-C-N 112.818 -1.992 . . . . 0.0 111.136 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.57 -34.32 77.98 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 176.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.14 -26.01 48.5 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 173.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 t -93.3 -26.9 17.11 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.758 1.623 . . . . 0.0 112.677 175.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.27 -29.4 67.55 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 121.664 0.745 . . . . 0.0 111.924 175.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.5 tp -85.41 -0.28 54.39 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 114.32 -1.309 . . . . 0.0 113.157 172.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.9 m -100.22 -11.69 20.19 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 121.143 -0.973 . . . . 0.0 111.089 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 -106.66 -53.23 2.65 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.143 0.977 . . . . 0.0 112.687 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.419 ' CZ3' ' HB2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -60.46 -29.08 68.82 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 174.225 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.06 1.79 8.32 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 173.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.53 10.01 25.2 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.212 1.005 . . . . 0.0 112.259 173.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -113.8 -68.11 0.95 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.192 1.397 . . . . 0.0 111.257 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.419 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 41.4 t30 -65.8 -9.59 29.88 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 114.268 -1.333 . . . . 0.0 112.465 176.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.4 -27.47 10.13 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.768 0.827 . . . . 0.0 112.513 171.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tp -103.7 -30.57 10.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.839 0.856 . . . . 0.0 112.68 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.426 HG21 ' O ' ' A' ' 17' ' ' ILE . 16.5 mm -84.66 12.94 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 124.54 1.136 . . . . 0.0 112.011 178.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 74.06 89.77 0.09 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 127.011 2.124 . . . . 0.0 112.336 -176.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.31 -66.88 0.84 Allowed 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.958 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 116.932 -1.508 . . . . 0.0 113.003 -179.379 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.69 -89.7 0.08 OUTLIER Glycine 0 N--CA 1.477 1.43 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 176.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 1.0 OUTLIER -63.14 -35.08 79.1 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 113.765 -1.217 . . . . 0.0 114.277 177.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.401 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -56.21 -24.57 42.82 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.177 0.991 . . . . 0.0 112.832 174.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -103.33 -24.68 13.49 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.793 1.237 . . . . 0.0 112.041 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.3 m -56.58 -28.4 60.17 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.577 1.151 . . . . 0.0 112.059 170.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.92 4.44 47.97 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 172.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.4 m -102.65 -12.79 17.45 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.89 1.276 . . . . 0.0 110.579 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.455 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 31.2 mtp180 -105.26 -51.56 3.0 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.588 0.755 . . . . 0.0 112.655 176.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -28.54 68.66 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 173.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.15 -0.81 10.53 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 172.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.455 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 33.9 t60 -104.03 -11.58 17.3 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.465 1.506 . . . . 0.0 111.634 174.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -80.78 -74.24 0.33 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.783 1.233 . . . . 0.0 110.898 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -65.13 -8.24 15.95 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 172.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.02 -27.85 21.44 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.38 0.672 . . . . 0.0 112.46 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mp -103.37 -30.5 10.55 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 174.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.7 mt -81.34 9.13 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 C-N-CA 123.914 0.885 . . . . 0.0 111.308 176.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 67.65 -62.97 0.32 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 128.299 2.64 . . . . 0.0 112.596 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.22 -71.02 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.1 t80 . . . . . 0 N--CA 1.491 1.586 0 C-N-CA 124.696 1.198 . . . . 0.0 112.382 -175.662 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.549 0.907 0 CA-C-O 123.272 1.51 . . . . 0.0 113.537 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.24 -87.84 0.07 OUTLIER Glycine 0 N--CA 1.473 1.151 0 CA-C-N 112.633 -2.076 . . . . 0.0 109.804 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.408 HD22 ' H ' ' A' ' 3' ' ' LEU . 1.4 pt? -62.33 -36.84 83.44 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.04 -25.07 43.2 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.296 1.038 . . . . 0.0 113.069 174.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.56 -26.26 13.29 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.55 1.54 . . . . 0.0 112.781 175.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.0 m -56.19 -28.28 57.64 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.596 1.158 . . . . 0.0 112.081 172.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -87.83 3.24 49.04 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 171.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.0 m -105.72 -13.87 15.42 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.35 1.46 . . . . 0.0 110.424 177.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.4 mtt-85 -96.59 -52.76 3.81 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -28.76 68.17 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 173.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.68 -4.35 15.37 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 172.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -109.95 12.46 23.75 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.593 1.157 . . . . 0.0 112.965 174.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -114.75 -64.54 1.3 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.894 1.278 . . . . 0.0 112.784 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -55.61 -20.01 12.23 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.502 174.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.4 -27.93 7.24 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 171.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.12 -28.07 12.89 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 173.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.1 mt -87.36 10.41 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 CA-C-O 122.152 0.977 . . . . 0.0 110.772 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -128.14 133.15 48.92 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.858 1.263 . . . . 0.0 108.02 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -173.69 -53.86 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 113.09 -1.868 . . . . 0.0 110.383 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--O 1.253 1.257 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.956 179.582 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 . . . . . 0 CA--C 1.549 0.915 0 CA-C-O 121.89 0.852 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.41 -89.09 0.07 OUTLIER Glycine 0 N--CA 1.479 1.535 0 CA-C-N 113.194 -1.821 . . . . 0.0 111.316 -177.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -32.3 73.74 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 176.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.97 -26.35 47.87 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 173.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 t -93.71 -25.27 17.52 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.935 1.294 . . . . 0.0 112.642 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.42 -29.09 67.5 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.352 0.661 . . . . 0.0 111.764 174.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.54 1.01 54.75 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.884 175.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.0 m -100.69 -12.46 19.13 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.578 1.151 . . . . 0.0 110.82 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -104.99 -54.15 2.54 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.051 1.34 . . . . 0.0 112.513 177.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -30.9 69.25 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 174.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.47 0.5 8.21 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -109.72 15.33 22.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.242 1.017 . . . . 0.0 112.272 173.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -114.22 -67.16 1.02 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.87 1.268 . . . . 0.0 112.24 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -62.81 -10.61 13.68 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 114.27 -1.332 . . . . 0.0 112.428 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.21 -27.88 10.05 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.309 1.044 . . . . 0.0 112.333 171.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.36 -29.71 10.57 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.352 -0.84 . . . . 0.0 113.254 174.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.8 mt -80.95 8.05 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.667 0.787 . . . . 0.0 111.717 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 56.53 111.94 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.761 1.624 . . . . 0.0 112.573 -173.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.08 -45.58 71.8 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.063 175.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.12 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.578 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.8 p80 . . . . . 0 CA--C 1.547 0.833 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.58 -86.61 0.07 OUTLIER Glycine 0 N--CA 1.476 1.364 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.561 -177.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -33.63 76.1 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 176.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.3 -24.56 44.2 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 173.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.34 -24.37 15.68 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.738 1.215 . . . . 0.0 112.394 176.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.05 -29.4 68.5 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.786 0.834 . . . . 0.0 111.782 173.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.39 2.97 51.55 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.002 -0.999 . . . . 0.0 113.05 175.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.1 m -103.82 -12.65 16.8 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.749 1.219 . . . . 0.0 110.599 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 4.8 mmm180 -101.47 -53.74 2.92 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.336 1.454 . . . . 0.0 112.233 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.509 ' CZ3' ' HB2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -60.69 -28.92 68.99 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 173.868 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.79 -2.68 12.74 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 172.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.468 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 38.1 t60 -104.02 -7.81 20.03 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.355 1.462 . . . . 0.0 111.729 174.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -101.24 -65.06 1.0 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.895 0.878 . . . . 0.0 110.692 -175.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.509 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 28.8 t30 -59.5 -13.54 9.34 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.813 170.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.91 -27.06 2.82 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 174.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.42 -30.45 10.56 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 173.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.4 mm -82.13 6.65 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 CA-C-O 122.503 1.144 . . . . 0.0 111.8 176.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -81.56 147.02 29.85 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.486 1.115 . . . . 0.0 108.66 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 56.03 56.95 5.46 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 123.823 1.773 . . . . 0.0 110.535 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 t80 . . . . . 0 C--O 1.252 1.218 0 CA-C-N 112.399 -2.182 . . . . 0.0 112.127 -179.348 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.846 0.355 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.24 -83.35 0.06 OUTLIER Glycine 0 N--CA 1.477 1.386 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.424 HD22 ' H ' ' A' ' 3' ' ' LEU . 1.5 pt? -65.48 -37.21 86.17 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.509 1.299 . . . . 0.0 114.509 177.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.44 -23.97 42.29 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.817 0.847 . . . . 0.0 112.713 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.81 -30.71 11.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.964 1.305 . . . . 0.0 112.073 177.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.62 -29.56 59.4 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.907 0.883 . . . . 0.0 112.919 171.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.5 mt -91.87 9.34 33.28 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.685 -1.143 . . . . 0.0 113.442 175.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -107.06 -12.36 15.43 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.632 1.173 . . . . 0.0 110.527 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.457 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 8.8 mtp180 -107.14 -52.28 2.79 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.895 0.878 . . . . 0.0 112.583 176.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.499 ' CZ3' ' HB2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -60.17 -29.07 68.45 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 173.856 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.56 1.55 7.96 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 173.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.457 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 38.3 t60 -106.96 -12.28 15.49 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.704 1.602 . . . . 0.0 111.739 173.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -91.6 -72.99 0.56 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.819 1.248 . . . . 0.0 111.89 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.499 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 53.7 t30 -62.69 -13.13 28.68 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 114.242 -1.344 . . . . 0.0 112.811 176.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.26 -26.85 5.16 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.304 0.642 . . . . 0.0 112.468 171.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.9 mt -105.08 -30.74 9.55 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.278 1.031 . . . . 0.0 113.051 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.6 mt -79.75 3.77 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 124.044 0.938 . . . . 0.0 111.856 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 56.62 -81.86 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.428 1.891 . . . . 0.0 113.466 -177.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 32.67 55.26 0.39 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.305 2.242 . . . . 0.0 112.43 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.2 t80 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 111.562 -2.563 . . . . 0.0 110.14 -174.233 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.6 m80 . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.79 -87.37 0.07 OUTLIER Glycine 0 N--CA 1.476 1.344 0 CA-C-N 113.575 -1.648 . . . . 0.0 111.459 -178.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.429 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.6 OUTLIER -64.12 -35.82 82.03 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 176.64 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.429 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -52.37 -27.29 15.05 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 171.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.96 -25.57 17.2 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.903 1.281 . . . . 0.0 112.905 175.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.85 -29.85 68.57 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.745 0.818 . . . . 0.0 111.621 174.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 pp -84.71 -3.73 58.7 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.734 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.1 m -96.82 -14.35 21.95 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.324 1.05 . . . . 0.0 110.817 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -103.05 -55.34 2.44 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 118.468 -0.777 . . . . 0.0 110.565 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -29.31 65.76 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.547 1.067 . . . . 0.0 113.183 176.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.91 7.62 2.48 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 172.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.37 -19.56 20.52 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.572 0.749 . . . . 0.0 111.418 171.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.27 -65.07 1.05 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.117 1.367 . . . . 0.0 110.029 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.443 ' HA ' ' HB ' ' A' ' 17' ' ' ILE . 2.2 m-80 -74.74 2.85 9.07 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 173.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.84 -45.67 70.99 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.441 1.096 . . . . 0.0 111.748 173.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 tt -93.67 -15.42 25.32 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.368 -1.287 . . . . 0.0 111.455 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.443 ' HB ' ' HA ' ' A' ' 14' ' ' ASN . 18.9 mt -86.73 11.48 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 C-N-CA 123.371 0.669 . . . . 0.0 109.598 176.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 40.58 61.7 1.56 Allowed 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 123.705 1.717 . . . . 0.0 113.293 173.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.58 -59.17 0.73 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 112.993 -1.912 . . . . 0.0 111.184 -176.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.8 t80 . . . . . 0 C--O 1.258 1.507 0 CA-C-O 116.726 -1.607 . . . . 0.0 111.206 177.699 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.1 t60 . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 121.439 0.638 . . . . 0.0 111.72 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.87 -87.36 0.07 OUTLIER Glycine 0 N--CA 1.48 1.587 0 CA-C-N 113.909 -1.496 . . . . 0.0 111.217 -178.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.6 OUTLIER -63.95 -35.7 81.55 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 176.424 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.425 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -52.34 -27.2 14.52 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 171.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.4 -25.44 16.93 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.92 1.288 . . . . 0.0 112.862 176.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.45 -29.51 67.85 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.882 0.873 . . . . 0.0 111.895 174.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mt -90.1 7.68 36.62 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.266 -1.333 . . . . 0.0 114.254 174.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.2 m -105.85 -12.99 15.65 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.842 1.257 . . . . 0.0 110.673 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.35 -53.32 2.74 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.402 1.081 . . . . 0.0 112.685 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -29.03 68.9 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 173.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.37 -1.87 11.9 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.86 4.45 25.43 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.422 1.089 . . . . 0.0 112.655 174.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -102.12 -64.83 1.03 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.428 1.091 . . . . 0.0 110.042 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -67.45 -9.71 44.49 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 114.566 -1.197 . . . . 0.0 114.111 174.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.96 -32.0 65.59 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.918 1.287 . . . . 0.0 112.015 173.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.08 -23.31 15.31 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 175.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.2 mm -80.97 7.62 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.919 0.887 . . . . 0.0 110.978 175.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 70.26 -53.46 0.64 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.085 2.154 . . . . 0.0 113.168 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 57.74 65.87 1.24 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.013 1.725 . . . . 0.0 111.109 -177.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 116.81 -1.567 . . . . 0.0 113.448 -174.172 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.546 0.801 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.94 -91.2 0.08 OUTLIER Glycine 0 N--CA 1.477 1.371 0 CA-C-N 114.182 -1.372 . . . . 0.0 111.312 -177.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -35.06 78.47 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.537 0.939 . . . . 0.0 113.537 177.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.9 -28.13 15.23 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.126 0.97 . . . . 0.0 113.425 172.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -98.34 -22.05 16.3 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.874 1.27 . . . . 0.0 112.652 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.5 m -60.93 -29.28 69.52 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.488 1.115 . . . . 0.0 111.441 173.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp -80.06 -10.23 59.75 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.831 1.253 . . . . 0.0 113.169 170.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.8 m -94.27 -12.69 27.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.09 0.956 . . . . 0.0 110.725 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.0 mtm-85 -99.77 -52.77 3.36 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 176.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.86 -26.85 67.68 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 173.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.52 -5.24 14.24 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 172.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -102.28 12.57 36.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.523 0.729 . . . . 0.0 112.357 174.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -104.33 -54.13 2.59 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.223 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.419 ' HA ' ' HB ' ' A' ' 17' ' ' ILE . 1.9 m120 -57.91 -16.06 10.76 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.611 1.164 . . . . 0.0 112.765 172.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.62 -26.08 4.95 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.538 0.735 . . . . 0.0 112.471 171.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.71 -29.4 10.11 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.841 0.856 . . . . 0.0 112.93 175.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.419 ' HB ' ' HA ' ' A' ' 14' ' ' ASN . 14.7 mm -84.6 12.98 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 CA-C-O 122.685 1.231 . . . . 0.0 111.286 175.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.56 149.95 16.39 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.405 1.482 . . . . 0.0 110.261 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.78 68.9 0.71 Allowed 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 124.321 2.01 . . . . 0.0 110.146 -176.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--O 1.254 1.305 0 CA-C-N 112.067 -2.333 . . . . 0.0 111.741 179.814 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.0 p80 . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.84 -88.48 0.07 OUTLIER Glycine 0 N--CA 1.477 1.416 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.52 -177.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.5 OUTLIER -64.83 -32.48 74.19 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 176.068 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -57.57 -20.28 31.21 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 172.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -101.94 -20.84 14.68 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.391 1.076 . . . . 0.0 112.275 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -31.27 69.6 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.942 0.897 . . . . 0.0 111.781 174.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.35 -16.31 60.4 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.806 174.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.0 m -92.68 -12.44 31.48 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.698 1.199 . . . . 0.0 110.773 -177.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -104.72 -52.14 2.93 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.411 ' CZ3' ' HB3' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -55.72 -31.5 62.53 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 170.808 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.18 -2.48 10.52 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 173.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -109.08 13.43 24.57 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.3 1.04 . . . . 0.0 112.525 174.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -117.25 -68.14 0.94 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.798 0.839 . . . . 0.0 110.493 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.411 ' HB3' ' CZ3' ' A' ' 10' ' ' TRP . 3.9 p-10 -60.99 -12.81 12.65 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 114.946 -1.024 . . . . 0.0 112.379 172.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.17 -27.75 2.57 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.585 0.754 . . . . 0.0 112.782 174.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.61 -30.65 10.82 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 114.744 -1.116 . . . . 0.0 113.422 174.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.4 mt -82.43 9.87 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 124.419 1.088 . . . . 0.0 111.976 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.54 -48.79 3.36 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.853 0.861 . . . . 0.0 111.903 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 57.27 75.49 0.37 Allowed 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 123.651 1.691 . . . . 0.0 111.191 -175.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.7 t80 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 112.891 -1.959 . . . . 0.0 111.018 179.949 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 . . . . . 0 N--CA 1.485 1.289 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.46 -90.9 0.08 OUTLIER Glycine 0 N--CA 1.476 1.355 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.133 175.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.449 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.6 OUTLIER -62.81 -36.77 84.24 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 114.313 -0.943 . . . . 0.0 113.335 176.821 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.449 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -50.75 -28.35 9.02 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 172.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -89.94 -39.12 13.2 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.218 1.007 . . . . 0.0 112.105 177.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.6 p -58.07 -25.92 61.88 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.935 0.894 . . . . 0.0 113.229 172.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.54 7.25 46.79 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.558 1.143 . . . . 0.0 114.026 174.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.5 m -105.06 -13.79 15.62 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.412 1.485 . . . . 0.0 110.714 175.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.496 ' NH2' ' HE2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -100.1 -56.1 2.46 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.076 0.55 . . . . 0.0 111.349 176.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.68 -29.38 59.26 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 121.294 -0.879 . . . . 0.0 113.318 172.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.97 -3.57 13.41 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.496 ' HE2' ' NH2' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -86.64 -24.08 25.44 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.843 0.857 . . . . 0.0 111.281 174.328 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -71.34 -76.08 0.11 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.852 1.261 . . . . 0.0 110.429 178.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -54.45 -22.74 13.52 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 124.31 1.006 . . . . 0.0 111.723 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.35 -42.13 63.65 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.921 0.489 . . . . 0.0 112.046 176.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tp -106.6 -29.1 9.83 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 114.759 -1.11 . . . . 0.0 112.031 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.7 mm -84.76 17.03 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 CA-C-O 122.718 1.247 . . . . 0.0 110.588 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -56.38 147.8 20.51 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.593 -1.317 . . . . 0.0 110.989 176.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 54.91 62.25 2.6 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 113.423 -1.717 . . . . 0.0 110.182 -178.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.2 t80 . . . . . 0 C--O 1.253 1.243 0 CA-C-N 114.343 -1.298 . . . . 0.0 114.207 -177.163 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.6 m170 . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 122.744 1.259 . . . . 0.0 113.389 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.21 -86.5 0.07 OUTLIER Glycine 0 N--CA 1.479 1.531 0 CA-C-N 113.257 -1.792 . . . . 0.0 111.5 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.438 ' O ' HD11 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -63.7 -35.63 81.19 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 176.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.407 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.05 -27.36 44.08 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.547 0.739 . . . . 0.0 112.559 174.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 t -85.39 -44.68 12.57 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.096 1.359 . . . . 0.0 111.718 175.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -55.87 -25.6 43.16 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 175.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.438 HD11 ' O ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -95.77 9.43 40.46 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.958 1.303 . . . . 0.0 113.952 174.061 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.4 m -105.48 -13.4 15.64 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.707 1.603 . . . . 0.0 110.676 174.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.65 -53.79 2.63 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.193 0.597 . . . . 0.0 112.577 176.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.69 -29.3 67.99 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 174.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.75 11.19 1.79 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 172.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -116.55 8.52 13.96 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.439 1.096 . . . . 0.0 112.423 170.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -110.33 -83.26 0.57 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.927 1.291 . . . . 0.0 110.868 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.488 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 3.1 t30 -65.45 -8.81 20.9 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.681 174.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.34 -31.78 1.77 Allowed 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 119.484 1.038 . . . . 0.0 113.729 169.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.0 -29.18 11.94 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.318 -0.855 . . . . 0.0 113.126 176.143 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.9 mm -84.03 10.95 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 CA-C-O 122.852 1.31 . . . . 0.0 111.394 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -91.82 139.51 30.6 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.952 1.301 . . . . 0.0 108.609 179.413 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.27 64.02 1.54 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 113.893 -1.503 . . . . 0.0 110.079 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.5 t80 . . . . . 0 C--O 1.251 1.139 0 CA-C-N 114.341 -1.3 . . . . 0.0 112.322 179.27 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 4.7 t60 . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.618 0.247 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.44 -91.1 0.08 OUTLIER Glycine 0 N--CA 1.478 1.472 0 O-C-N 124.166 0.916 . . . . 0.0 111.442 176.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.6 OUTLIER -62.67 -33.71 75.62 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 176.623 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.413 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.9 -24.79 39.55 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.855 0.862 . . . . 0.0 112.726 173.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 t -90.87 -40.0 12.0 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.088 0.955 . . . . 0.0 111.884 175.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.0 p -57.87 -26.8 62.59 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 173.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 pp -88.41 -5.19 58.43 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.9 m -95.26 -13.19 25.08 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.153 1.381 . . . . 0.0 111.176 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -103.75 -50.01 3.52 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.504 ' CZ3' ' HB2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -60.61 -29.21 69.08 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 172.658 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.87 0.23 9.65 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 173.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.19 12.57 23.35 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.002 0.921 . . . . 0.0 112.385 174.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.77 -68.98 0.88 Allowed 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.905 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.504 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 62.0 t30 -60.44 -12.87 10.73 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 114.843 -1.071 . . . . 0.0 112.907 172.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.4 -27.31 6.15 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 172.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.18 -30.77 10.93 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.224 1.01 . . . . 0.0 113.483 174.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.2 mt -82.84 9.61 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 124.57 1.148 . . . . 0.0 111.732 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.492 ' HG3' ' ND2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -87.73 90.84 8.53 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.877 1.271 . . . . 0.0 110.574 -179.52 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -161.12 63.84 0.28 Allowed 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 112.639 -2.073 . . . . 0.0 111.314 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.251 0 CA-C-N 113.76 -1.563 . . . . 0.0 112.939 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 60.5 m170 . . . . . 0 N--CA 1.486 1.364 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 177.97 -87.55 0.07 OUTLIER Glycine 0 N--CA 1.477 1.386 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.156 176.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.9 OUTLIER -64.4 -35.39 80.75 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 114.038 -1.081 . . . . 0.0 113.655 176.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.413 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.13 -25.74 33.8 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.537 0.735 . . . . 0.0 112.574 174.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -91.36 -39.19 12.16 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.52 1.128 . . . . 0.0 111.805 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.1 p -58.29 -26.24 62.76 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.77 0.828 . . . . 0.0 113.227 172.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.14 9.35 39.94 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.478 1.111 . . . . 0.0 113.844 173.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.0 m -104.44 -11.31 17.13 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.737 1.215 . . . . 0.0 110.797 174.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.447 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 51.8 mtp180 -107.77 -52.93 2.69 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 177.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.467 ' CZ3' ' HB2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -60.28 -28.87 68.42 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 173.748 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.62 10.67 2.02 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 173.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.447 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 31.5 t60 -112.93 -8.65 13.68 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.629 1.572 . . . . 0.0 111.52 171.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.47 -75.28 0.55 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.615 1.166 . . . . 0.0 110.628 -177.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.467 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 2.0 m120 -71.94 -9.28 58.13 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.545 -1.207 . . . . 0.0 113.562 174.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.79 -30.23 2.33 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 171.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -103.4 -29.0 11.48 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.844 1.054 . . . . 0.0 113.844 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.4 mt -82.82 10.3 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-O 122.53 1.157 . . . . 0.0 111.275 174.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.76 117.0 11.71 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.978 1.311 . . . . 0.0 109.746 178.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -148.13 -63.03 0.26 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 112.559 -2.11 . . . . 0.0 109.882 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 t80 . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 116.924 -1.512 . . . . 0.0 111.132 178.034 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.88 -24.84 39.54 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.042 0.937 . . . . 0.0 112.923 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -103.49 -24.89 13.4 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.001 1.321 . . . . 0.0 112.319 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.9 m -56.33 -27.68 56.53 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.62 1.168 . . . . 0.0 112.144 171.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.22 7.97 38.16 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.2 m -106.13 -12.01 15.9 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.98 1.312 . . . . 0.0 110.433 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 0.4 OUTLIER -107.38 -54.51 2.47 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.406 0.682 . . . . 0.0 112.315 177.275 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.37 -29.59 61.63 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 171.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.95 -0.18 10.83 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 33.8 t60 -105.26 -9.88 17.39 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.453 1.501 . . . . 0.0 111.544 174.243 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.825 0 C-N-CA 124.289 1.036 . . . . 0.0 111.125 -176.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.557 ' O ' HG22 ' A' ' 6' ' ' THR . 1.2 pt? . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.84 -25.3 41.27 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 173.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -96.0 -26.07 15.69 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.99 1.316 . . . . 0.0 112.629 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -59.12 -28.83 66.9 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.792 0.806 . . . . 0.0 111.835 174.743 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mt -90.37 4.76 49.93 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 114.226 -1.352 . . . . 0.0 112.956 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 m -107.64 -8.31 16.18 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.424 1.49 . . . . 0.0 109.782 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.58 -51.06 2.96 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.106 -0.996 . . . . 0.0 111.776 175.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -29.11 68.1 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 173.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.11 2.28 6.08 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 173.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -107.74 8.92 29.12 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 121.624 0.726 . . . . 0.0 111.421 175.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 N--CA 1.476 0.86 0 C-N-CA 125.011 1.324 . . . . 0.0 110.836 -179.911 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.559 ' O ' HG22 ' A' ' 6' ' ' THR . 1.4 pt? . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.27 -24.88 45.81 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 173.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -97.61 -24.39 15.56 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.894 1.278 . . . . 0.0 112.466 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -59.88 -28.87 67.92 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.954 0.902 . . . . 0.0 111.827 173.862 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -91.12 7.34 41.08 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 114.266 -1.334 . . . . 0.0 113.112 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.7 m -106.56 -13.1 15.41 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.98 1.312 . . . . 0.0 110.387 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.09 -53.16 2.79 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.928 0.891 . . . . 0.0 112.535 176.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -29.91 68.35 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 174.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.42 -2.46 13.85 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.565 1.321 . . . . 0.0 114.565 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -109.81 12.03 24.14 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.364 1.066 . . . . 0.0 112.345 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 N--CA 1.474 0.76 0 C-N-CA 124.318 1.047 . . . . 0.0 112.176 177.113 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.64 -24.64 49.8 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.994 0.918 . . . . 0.0 112.939 174.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -100.26 -27.29 13.57 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.178 1.391 . . . . 0.0 112.125 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.5 m -55.24 -28.59 54.3 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.325 1.05 . . . . 0.0 112.169 172.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.46 -0.28 55.7 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 173.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.0 m -101.34 -13.15 18.14 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.425 1.49 . . . . 0.0 110.717 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -102.52 -54.76 2.6 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.64 0.776 . . . . 0.0 112.62 176.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.85 -30.94 62.27 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 172.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.39 -1.64 11.28 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -109.91 13.18 23.57 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.301 1.04 . . . . 0.0 112.409 174.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 t80 . . . . . 0 N--CA 1.475 0.791 0 C-N-CA 123.954 0.902 . . . . 0.0 110.765 178.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 1.4 pt? . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.405 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.73 -24.76 36.78 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.197 0.999 . . . . 0.0 112.863 174.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -104.94 -24.62 12.82 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.061 1.344 . . . . 0.0 112.246 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.9 m -56.56 -27.3 57.41 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.628 1.171 . . . . 0.0 112.152 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.7 mt -91.55 7.46 41.28 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 173.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.0 m -105.77 -12.66 15.8 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.353 1.461 . . . . 0.0 110.47 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.34 -55.09 2.38 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 176.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -29.8 62.86 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 171.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.28 0.21 10.51 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 173.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.36 14.1 21.57 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.235 1.014 . . . . 0.0 112.149 174.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 N--CA 1.476 0.826 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.965 -179.459 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.544 ' O ' HG22 ' A' ' 6' ' ' THR . 1.4 pt? . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.62 -23.98 44.86 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 173.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -98.1 -24.55 15.26 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.89 1.276 . . . . 0.0 112.495 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.84 -29.59 68.38 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.594 0.758 . . . . 0.0 111.801 174.031 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.26 5.3 45.49 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.859 175.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m -104.32 -12.8 16.4 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.31 1.044 . . . . 0.0 110.228 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.9 ttm105 -106.5 -52.08 2.84 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.932 0.493 . . . . 0.0 111.891 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -30.08 67.28 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 175.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.61 0.1 9.43 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 173.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -111.23 14.17 21.73 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.161 0.984 . . . . 0.0 112.078 173.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 N--CA 1.474 0.765 0 C-N-CA 124.037 0.935 . . . . 0.0 110.657 -179.675 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.557 ' O ' HG22 ' A' ' 6' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.14 -26.01 48.5 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 173.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 t -93.3 -26.9 17.11 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.758 1.623 . . . . 0.0 112.677 175.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.27 -29.4 67.55 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 121.664 0.745 . . . . 0.0 111.924 175.368 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.5 tp -85.41 -0.28 54.39 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 114.32 -1.309 . . . . 0.0 113.157 172.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.9 m -100.22 -11.69 20.19 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 121.143 -0.973 . . . . 0.0 111.089 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 -106.66 -53.23 2.65 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.143 0.977 . . . . 0.0 112.687 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -29.08 68.82 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 174.225 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.06 1.79 8.32 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 173.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.53 10.01 25.2 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.212 1.005 . . . . 0.0 112.259 173.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 N--CA 1.476 0.869 0 C-N-CA 125.192 1.397 . . . . 0.0 111.257 178.183 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.409 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -56.21 -24.57 42.82 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.177 0.991 . . . . 0.0 112.832 174.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -103.33 -24.68 13.49 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.793 1.237 . . . . 0.0 112.041 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.3 m -56.58 -28.4 60.17 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.577 1.151 . . . . 0.0 112.059 170.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.92 4.44 47.97 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 172.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.4 m -102.65 -12.79 17.45 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.89 1.276 . . . . 0.0 110.579 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.455 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 31.2 mtp180 -105.26 -51.56 3.0 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.588 0.755 . . . . 0.0 112.655 176.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -28.54 68.66 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 173.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.15 -0.81 10.53 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 172.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.455 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 33.9 t60 -104.03 -11.58 17.3 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.465 1.506 . . . . 0.0 111.634 174.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.803 0 C-N-CA 124.783 1.233 . . . . 0.0 110.898 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.04 -25.07 43.2 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.296 1.038 . . . . 0.0 113.069 174.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.56 -26.26 13.29 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.55 1.54 . . . . 0.0 112.781 175.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.0 m -56.19 -28.28 57.64 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.596 1.158 . . . . 0.0 112.081 172.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -87.83 3.24 49.04 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 171.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.0 m -105.72 -13.87 15.42 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.35 1.46 . . . . 0.0 110.424 177.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.4 mtt-85 -96.59 -52.76 3.81 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -28.76 68.17 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 173.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.68 -4.35 15.37 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 172.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -109.95 12.46 23.75 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.593 1.157 . . . . 0.0 112.965 174.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 124.894 1.278 . . . . 0.0 112.784 177.534 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.556 ' O ' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.97 -26.35 47.87 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 173.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 t -93.71 -25.27 17.52 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.935 1.294 . . . . 0.0 112.642 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.42 -29.09 67.5 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.352 0.661 . . . . 0.0 111.764 174.121 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.54 1.01 54.75 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.884 175.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.0 m -100.69 -12.46 19.13 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.578 1.151 . . . . 0.0 110.82 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -104.99 -54.15 2.54 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.051 1.34 . . . . 0.0 112.513 177.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -30.9 69.25 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 174.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.47 0.5 8.21 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -109.72 15.33 22.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.242 1.017 . . . . 0.0 112.272 173.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.478 0.926 0 C-N-CA 124.87 1.268 . . . . 0.0 112.24 177.587 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.555 ' O ' HG22 ' A' ' 6' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.3 -24.56 44.2 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 173.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.34 -24.37 15.68 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.738 1.215 . . . . 0.0 112.394 176.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -60.05 -29.4 68.5 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.786 0.834 . . . . 0.0 111.782 173.742 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.39 2.97 51.55 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.002 -0.999 . . . . 0.0 113.05 175.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.1 m -103.82 -12.65 16.8 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.749 1.219 . . . . 0.0 110.599 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 4.8 mmm180 -101.47 -53.74 2.92 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.336 1.454 . . . . 0.0 112.233 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -28.92 68.99 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 173.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.79 -2.68 12.74 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 172.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.465 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 38.1 t60 -104.02 -7.81 20.03 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.355 1.462 . . . . 0.0 111.729 174.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 N--CA 1.475 0.796 0 C-N-CA 123.895 0.878 . . . . 0.0 110.692 -175.271 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.445 ' O ' HG22 ' A' ' 6' ' ' THR . 1.5 pt? . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 114.509 1.299 . . . . 0.0 114.509 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.405 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -56.44 -23.97 42.29 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.817 0.847 . . . . 0.0 112.713 174.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.81 -30.71 11.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.964 1.305 . . . . 0.0 112.073 177.021 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -55.62 -29.56 59.4 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.907 0.883 . . . . 0.0 112.919 171.685 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.5 mt -91.87 9.34 33.28 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.685 -1.143 . . . . 0.0 113.442 175.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -107.06 -12.36 15.43 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.632 1.173 . . . . 0.0 110.527 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.451 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 8.8 mtp180 -107.14 -52.28 2.79 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.895 0.878 . . . . 0.0 112.583 176.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -29.07 68.45 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 173.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.56 1.55 7.96 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 173.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.451 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 38.3 t60 -106.96 -12.28 15.49 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.704 1.602 . . . . 0.0 111.739 173.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 N--CA 1.476 0.874 0 C-N-CA 124.819 1.248 . . . . 0.0 111.89 -179.151 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 6' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.48 1.075 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -52.37 -27.29 15.05 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 171.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.96 -25.57 17.2 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.903 1.281 . . . . 0.0 112.905 175.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.85 -29.85 68.57 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.745 0.818 . . . . 0.0 111.621 174.084 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 pp -84.71 -3.73 58.7 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.734 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.1 m -96.82 -14.35 21.95 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.324 1.05 . . . . 0.0 110.817 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -103.05 -55.34 2.44 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 118.468 -0.777 . . . . 0.0 110.565 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -29.31 65.76 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.547 1.067 . . . . 0.0 113.183 176.093 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.91 7.62 2.48 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 172.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.37 -19.56 20.52 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.572 0.749 . . . . 0.0 111.418 171.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.669 0 C-N-CA 125.117 1.367 . . . . 0.0 110.029 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.572 ' O ' HG22 ' A' ' 6' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.423 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -52.34 -27.2 14.52 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 171.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.4 -25.44 16.93 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.92 1.288 . . . . 0.0 112.862 176.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.45 -29.51 67.85 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.882 0.873 . . . . 0.0 111.895 174.081 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mt -90.1 7.68 36.62 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.266 -1.333 . . . . 0.0 114.254 174.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.2 m -105.85 -12.99 15.65 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.842 1.257 . . . . 0.0 110.673 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.35 -53.32 2.74 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.402 1.081 . . . . 0.0 112.685 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -29.03 68.9 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 173.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.37 -1.87 11.9 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.86 4.45 25.43 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.422 1.089 . . . . 0.0 112.655 174.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 N--CA 1.474 0.753 0 C-N-CA 124.428 1.091 . . . . 0.0 110.042 179.221 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 113.537 0.939 . . . . 0.0 113.537 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.9 -28.13 15.23 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.126 0.97 . . . . 0.0 113.425 172.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -98.34 -22.05 16.3 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.874 1.27 . . . . 0.0 112.652 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.5 m -60.93 -29.28 69.52 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.488 1.115 . . . . 0.0 111.441 173.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp -80.06 -10.23 59.75 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.831 1.253 . . . . 0.0 113.169 170.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.8 m -94.27 -12.69 27.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.09 0.956 . . . . 0.0 110.725 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.0 mtm-85 -99.77 -52.77 3.36 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 176.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.86 -26.85 67.68 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 173.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.52 -5.24 14.24 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 172.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -102.28 12.57 36.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.523 0.729 . . . . 0.0 112.357 174.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 N--CA 1.475 0.816 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.223 179.375 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.599 ' O ' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.495 ' O ' HD12 ' A' ' 7' ' ' LEU . . . -57.57 -20.28 31.21 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 172.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -101.94 -20.84 14.68 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.391 1.076 . . . . 0.0 112.275 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -59.85 -31.27 69.6 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.942 0.897 . . . . 0.0 111.781 174.394 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -75.35 -16.31 60.4 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.806 174.479 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.0 m -92.68 -12.44 31.48 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.698 1.199 . . . . 0.0 110.773 -177.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -104.72 -52.14 2.93 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -31.5 62.53 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 170.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.18 -2.48 10.52 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 173.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -109.08 13.43 24.57 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.3 1.04 . . . . 0.0 112.525 174.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 N--CA 1.474 0.725 0 C-N-CA 123.798 0.839 . . . . 0.0 110.493 -179.513 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.447 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -50.75 -28.35 9.02 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 172.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -89.94 -39.12 13.2 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.218 1.007 . . . . 0.0 112.105 177.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.6 p -58.07 -25.92 61.88 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.935 0.894 . . . . 0.0 113.229 172.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.54 7.25 46.79 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.558 1.143 . . . . 0.0 114.026 174.226 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.5 m -105.06 -13.79 15.62 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.412 1.485 . . . . 0.0 110.714 175.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.1 -56.1 2.46 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.076 0.55 . . . . 0.0 111.349 176.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.68 -29.38 59.26 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 121.294 -0.879 . . . . 0.0 113.318 172.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.97 -3.57 13.41 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -24.08 25.44 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.843 0.857 . . . . 0.0 111.281 174.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.2 t80 . . . . . 0 N--CA 1.475 0.809 0 C-N-CA 124.852 1.261 . . . . 0.0 110.429 178.573 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.409 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.05 -27.36 44.08 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.547 0.739 . . . . 0.0 112.559 174.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 t -85.39 -44.68 12.57 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.096 1.359 . . . . 0.0 111.718 175.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -55.87 -25.6 43.16 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 175.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -95.77 9.43 40.46 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.958 1.303 . . . . 0.0 113.952 174.061 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.4 m -105.48 -13.4 15.64 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.707 1.603 . . . . 0.0 110.676 174.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.65 -53.79 2.63 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.193 0.597 . . . . 0.0 112.577 176.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.69 -29.3 67.99 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 174.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.75 11.19 1.79 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 172.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -116.55 8.52 13.96 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.439 1.096 . . . . 0.0 112.423 170.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 . . . . . 0 N--CA 1.477 0.916 0 C-N-CA 124.927 1.291 . . . . 0.0 110.868 177.836 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.414 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.9 -24.79 39.55 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.855 0.862 . . . . 0.0 112.726 173.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 t -90.87 -40.0 12.0 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.088 0.955 . . . . 0.0 111.884 175.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.0 p -57.87 -26.8 62.59 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 173.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 pp -88.41 -5.19 58.43 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.9 m -95.26 -13.19 25.08 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.153 1.381 . . . . 0.0 111.176 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -103.75 -50.01 3.52 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.61 -29.21 69.08 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 172.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.87 0.23 9.65 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 173.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.19 12.57 23.35 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.002 0.921 . . . . 0.0 112.385 174.16 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.796 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.905 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.416 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.13 -25.74 33.8 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.537 0.735 . . . . 0.0 112.574 174.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -91.36 -39.19 12.16 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.52 1.128 . . . . 0.0 111.805 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.1 p -58.29 -26.24 62.76 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.77 0.828 . . . . 0.0 113.227 172.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.14 9.35 39.94 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.478 1.111 . . . . 0.0 113.844 173.465 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.0 m -104.44 -11.31 17.13 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.737 1.215 . . . . 0.0 110.797 174.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 51.8 mtp180 -107.77 -52.93 2.69 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 177.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.28 -28.87 68.42 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 173.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.62 10.67 2.02 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 173.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.446 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 31.5 t60 -112.93 -8.65 13.68 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.629 1.572 . . . . 0.0 111.52 171.131 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.775 0 C-N-CA 124.615 1.166 . . . . 0.0 110.628 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 24.7 m80 . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.73 -88.21 0.07 OUTLIER Glycine 0 N--CA 1.475 1.262 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.4 pt? -63.2 -37.01 85.53 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 113.441 -1.379 . . . . 0.0 114.3 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.88 -24.84 39.54 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.042 0.937 . . . . 0.0 112.923 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -103.49 -24.89 13.4 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.001 1.321 . . . . 0.0 112.319 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.9 m -56.33 -27.68 56.53 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.62 1.168 . . . . 0.0 112.144 171.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.22 7.97 38.16 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.2 m -106.13 -12.01 15.9 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.98 1.312 . . . . 0.0 110.433 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 0.4 OUTLIER -107.38 -54.51 2.47 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.406 0.682 . . . . 0.0 112.315 177.275 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.527 ' CZ3' ' HB2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -56.37 -29.59 61.63 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 171.828 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.95 -0.18 10.83 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 33.8 t60 -105.26 -9.88 17.39 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.453 1.501 . . . . 0.0 111.544 174.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.52 -68.7 0.79 Allowed 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.289 1.036 . . . . 0.0 111.125 -176.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 24.2 t30 -62.35 -9.77 9.19 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 114.812 -1.086 . . . . 0.0 112.522 172.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.65 -26.96 6.04 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.024 0.749 . . . . 0.0 113.024 172.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mt -104.07 -30.02 10.51 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.866 1.266 . . . . 0.0 113.399 175.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.0 mt -83.32 9.62 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 C-N-CA 124.687 1.195 . . . . 0.0 111.784 175.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -93.87 144.99 24.94 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.491 1.138 . . . . 0.0 109.18 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.57 -56.55 1.96 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 112.966 -1.924 . . . . 0.0 111.615 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.9 t80 . . . . . 0 C--O 1.253 1.24 0 CA-C-O 117.421 -1.276 . . . . 0.0 111.79 -179.415 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.8 t60 . . . . . 0 CA--C 1.546 0.807 0 CA-C-O 121.004 0.43 . . . . 0.0 111.375 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.08 -83.86 0.06 OUTLIER Glycine 0 N--CA 1.477 1.407 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.12 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.557 ' O ' HG22 ' A' ' 6' ' ' THR . 1.2 pt? -64.7 -35.46 81.12 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 175.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.84 -25.3 41.27 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 173.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -96.0 -26.07 15.69 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.99 1.316 . . . . 0.0 112.629 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -59.12 -28.83 66.9 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.792 0.806 . . . . 0.0 111.835 174.743 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mt -90.37 4.76 49.93 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 114.226 -1.352 . . . . 0.0 112.956 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 m -107.64 -8.31 16.18 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.424 1.49 . . . . 0.0 109.782 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.58 -51.06 2.96 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.106 -0.996 . . . . 0.0 111.776 175.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -29.11 68.1 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 173.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -72.11 2.28 6.08 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 173.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -107.74 8.92 29.12 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 121.624 0.726 . . . . 0.0 111.421 175.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -117.45 -75.87 0.58 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.011 1.324 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -54.87 -22.99 16.46 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.817 0.847 . . . . 0.0 112.177 175.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -52.82 -41.58 64.34 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.615 -0.678 . . . . 0.0 112.49 173.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.35 -22.48 11.69 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 177.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.3 mm -87.33 11.45 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 C-N-CA 124.595 1.158 . . . . 0.0 110.391 174.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.28 148.66 51.52 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.305 -0.872 . . . . 0.0 110.418 175.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -172.26 -55.0 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 113.102 -1.863 . . . . 0.0 110.647 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 117.629 -1.177 . . . . 0.0 113.766 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.87 -82.73 0.06 OUTLIER Glycine 0 N--CA 1.475 1.289 0 CA-C-N 113.89 -1.505 . . . . 0.0 111.426 -177.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.559 ' O ' HG22 ' A' ' 6' ' ' THR . 1.4 pt? -64.94 -35.81 82.36 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 176.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.27 -24.88 45.81 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 173.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -97.61 -24.39 15.56 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.894 1.278 . . . . 0.0 112.466 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -59.88 -28.87 67.92 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.954 0.902 . . . . 0.0 111.827 173.862 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -91.12 7.34 41.08 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 114.266 -1.334 . . . . 0.0 113.112 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.7 m -106.56 -13.1 15.41 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.98 1.312 . . . . 0.0 110.387 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.09 -53.16 2.79 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.928 0.891 . . . . 0.0 112.535 176.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.498 ' CZ3' ' HB3' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -59.63 -29.91 68.35 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 174.29 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.42 -2.46 13.85 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.565 1.321 . . . . 0.0 114.565 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -109.81 12.03 24.14 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.364 1.066 . . . . 0.0 112.345 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -114.59 -65.93 1.14 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.318 1.047 . . . . 0.0 112.176 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.498 ' HB3' ' CZ3' ' A' ' 10' ' ' TRP . 8.5 p-10 -55.93 -20.52 16.35 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.343 173.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.26 -40.57 61.89 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.031 0.832 . . . . 0.0 112.509 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.18 -27.69 9.44 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.148 175.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.3 mt -83.62 14.02 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-O 122.308 1.051 . . . . 0.0 111.162 175.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -177.35 1.61 Allowed 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.705 -1.247 . . . . 0.0 111.262 175.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.91 40.82 1.27 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 113.723 -1.581 . . . . 0.0 110.989 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.3 t80 . . . . . 0 C--O 1.252 1.213 0 CA-C-O 117.33 -1.319 . . . . 0.0 112.392 178.914 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.95 -87.52 0.07 OUTLIER Glycine 0 N--CA 1.476 1.338 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 177.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.491 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.4 pt? -64.02 -36.48 84.11 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 113.536 -1.332 . . . . 0.0 114.398 178.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.64 -24.64 49.8 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.994 0.918 . . . . 0.0 112.939 174.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -100.26 -27.29 13.57 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.178 1.391 . . . . 0.0 112.125 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.5 m -55.24 -28.59 54.3 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.325 1.05 . . . . 0.0 112.169 172.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.46 -0.28 55.7 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 173.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.0 m -101.34 -13.15 18.14 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.425 1.49 . . . . 0.0 110.717 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -102.52 -54.76 2.6 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.64 0.776 . . . . 0.0 112.62 176.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.518 ' CZ3' ' HB3' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -55.85 -30.94 62.27 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 172.422 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.39 -1.64 11.28 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -109.91 13.18 23.57 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.301 1.04 . . . . 0.0 112.409 174.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -117.87 -70.38 0.8 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.954 0.902 . . . . 0.0 110.765 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 10' ' ' TRP . 24.8 p-10 -60.37 -12.61 9.76 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.874 173.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.28 -26.03 2.76 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.97 0.908 . . . . 0.0 112.728 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.9 mt -104.68 -30.08 10.18 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.786 1.234 . . . . 0.0 113.008 174.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.423 ' HB ' ' HA ' ' A' ' 14' ' ' ASN . 16.0 mm -83.7 10.36 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 124.536 1.134 . . . . 0.0 111.776 176.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.1 151.45 8.54 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.042 1.737 . . . . 0.0 110.494 -176.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.98 52.54 2.06 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 114.196 -1.365 . . . . 0.0 111.257 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.8 t80 . . . . . 0 N--CA 1.483 1.204 0 CA-C-N 114.021 -1.445 . . . . 0.0 112.207 178.59 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 55.5 m80 . . . . . 0 CA--C 1.55 0.975 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.15 -88.88 0.07 OUTLIER Glycine 0 N--CA 1.477 1.368 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.488 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.4 pt? -62.93 -36.75 84.44 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 178.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.405 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.73 -24.76 36.78 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.197 0.999 . . . . 0.0 112.863 174.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -104.94 -24.62 12.82 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.061 1.344 . . . . 0.0 112.246 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.9 m -56.56 -27.3 57.41 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.628 1.171 . . . . 0.0 112.152 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.7 mt -91.55 7.46 41.28 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 173.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.0 m -105.77 -12.66 15.8 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.353 1.461 . . . . 0.0 110.47 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.34 -55.09 2.38 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 176.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.574 ' CZ3' ' HB2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -56.72 -29.8 62.86 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 171.894 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.28 0.21 10.51 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 173.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.36 14.1 21.57 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.235 1.014 . . . . 0.0 112.149 174.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -121.24 -63.65 1.31 Allowed 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.965 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 64.0 t30 -58.53 -14.71 8.68 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.712 -1.131 . . . . 0.0 113.726 173.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.16 -27.77 9.44 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.695 0.798 . . . . 0.0 112.639 170.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mp -102.05 -30.14 11.36 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 173.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.5 mm -86.11 15.97 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 124.238 1.015 . . . . 0.0 111.302 176.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.63 108.09 0.07 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.377 2.271 . . . . 0.0 113.149 178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.16 64.24 1.15 Allowed 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 114.517 -1.219 . . . . 0.0 112.238 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 116.82 -1.562 . . . . 0.0 113.432 -176.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 29.7 p80 . . . . . 0 CA--C 1.544 0.749 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.36 -82.74 0.06 OUTLIER Glycine 0 N--CA 1.476 1.321 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.318 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.544 ' O ' HG22 ' A' ' 6' ' ' THR . 1.4 pt? -64.93 -35.76 82.2 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 176.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.62 -23.98 44.86 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 173.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -98.1 -24.55 15.26 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.89 1.276 . . . . 0.0 112.495 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.84 -29.59 68.38 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.594 0.758 . . . . 0.0 111.801 174.031 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.26 5.3 45.49 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.859 175.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m -104.32 -12.8 16.4 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.31 1.044 . . . . 0.0 110.228 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.9 ttm105 -106.5 -52.08 2.84 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.932 0.493 . . . . 0.0 111.891 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.511 ' CZ3' ' HB3' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -58.77 -30.08 67.28 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 175.096 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.61 0.1 9.43 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 173.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -111.23 14.17 21.73 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.161 0.984 . . . . 0.0 112.078 173.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -118.62 -66.13 1.11 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.037 0.935 . . . . 0.0 110.657 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.511 ' HB3' ' CZ3' ' A' ' 10' ' ' TRP . 9.6 p30 -59.79 -14.53 15.17 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.581 172.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.62 -26.85 2.46 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.635 0.774 . . . . 0.0 112.707 176.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tt -104.07 -31.37 9.71 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.63 174.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.8 mm -82.0 11.66 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 124.208 1.003 . . . . 0.0 111.192 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.19 -42.86 99.41 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.778 0.831 . . . . 0.0 110.378 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 45.23 59.19 3.65 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 123.452 1.596 . . . . 0.0 111.506 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.4 t80 . . . . . 0 C--O 1.251 1.15 0 CA-C-N 112.828 -1.987 . . . . 0.0 112.645 -176.296 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 122.673 1.225 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.61 -85.88 0.07 OUTLIER Glycine 0 N--CA 1.478 1.48 0 CA-C-N 112.818 -1.992 . . . . 0.0 111.136 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.557 ' O ' HG22 ' A' ' 6' ' ' THR . 1.0 OUTLIER -64.57 -34.32 77.98 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 176.463 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.14 -26.01 48.5 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 173.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 t -93.3 -26.9 17.11 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.758 1.623 . . . . 0.0 112.677 175.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.27 -29.4 67.55 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 121.664 0.745 . . . . 0.0 111.924 175.368 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.5 tp -85.41 -0.28 54.39 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 114.32 -1.309 . . . . 0.0 113.157 172.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.9 m -100.22 -11.69 20.19 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 121.143 -0.973 . . . . 0.0 111.089 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 -106.66 -53.23 2.65 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.143 0.977 . . . . 0.0 112.687 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.427 ' CZ3' ' HB2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -60.46 -29.08 68.82 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 174.225 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -73.06 1.79 8.32 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 173.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.53 10.01 25.2 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.212 1.005 . . . . 0.0 112.259 173.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -113.8 -68.11 0.95 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.192 1.397 . . . . 0.0 111.257 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.427 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 41.4 t30 -65.8 -9.59 29.88 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 114.268 -1.333 . . . . 0.0 112.465 176.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -51.4 -27.47 10.13 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.768 0.827 . . . . 0.0 112.513 171.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tp -103.7 -30.57 10.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.839 0.856 . . . . 0.0 112.68 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.5 mm -84.66 12.94 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 124.54 1.136 . . . . 0.0 112.011 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 74.06 89.77 0.09 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 127.011 2.124 . . . . 0.0 112.336 -176.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.31 -66.88 0.84 Allowed 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.958 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 116.932 -1.508 . . . . 0.0 113.003 -179.379 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.69 -89.7 0.08 OUTLIER Glycine 0 N--CA 1.477 1.43 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 176.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.432 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.0 OUTLIER -63.14 -35.08 79.1 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 113.765 -1.217 . . . . 0.0 114.277 177.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.409 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -56.21 -24.57 42.82 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.177 0.991 . . . . 0.0 112.832 174.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -103.33 -24.68 13.49 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.793 1.237 . . . . 0.0 112.041 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.3 m -56.58 -28.4 60.17 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.577 1.151 . . . . 0.0 112.059 170.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.92 4.44 47.97 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 172.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.4 m -102.65 -12.79 17.45 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.89 1.276 . . . . 0.0 110.579 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.455 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 31.2 mtp180 -105.26 -51.56 3.0 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.588 0.755 . . . . 0.0 112.655 176.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -28.54 68.66 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 173.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -71.15 -0.81 10.53 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 172.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.455 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 33.9 t60 -104.03 -11.58 17.3 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.465 1.506 . . . . 0.0 111.634 174.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -80.78 -74.24 0.33 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.783 1.233 . . . . 0.0 110.898 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -65.13 -8.24 15.95 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 172.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -53.02 -27.85 21.44 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.38 0.672 . . . . 0.0 112.46 173.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mp -103.37 -30.5 10.55 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 174.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.7 mt -81.34 9.13 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 C-N-CA 123.914 0.885 . . . . 0.0 111.308 176.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 67.65 -62.97 0.32 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 128.299 2.64 . . . . 0.0 112.596 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.22 -71.02 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.1 t80 . . . . . 0 N--CA 1.491 1.586 0 C-N-CA 124.696 1.198 . . . . 0.0 112.382 -175.662 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.549 0.907 0 CA-C-O 123.272 1.51 . . . . 0.0 113.537 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.24 -87.84 0.07 OUTLIER Glycine 0 N--CA 1.473 1.151 0 CA-C-N 112.633 -2.076 . . . . 0.0 109.804 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.459 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.4 pt? -62.33 -36.84 83.44 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.04 -25.07 43.2 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.296 1.038 . . . . 0.0 113.069 174.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.56 -26.26 13.29 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.55 1.54 . . . . 0.0 112.781 175.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.0 m -56.19 -28.28 57.64 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.596 1.158 . . . . 0.0 112.081 172.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -87.83 3.24 49.04 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 171.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.0 m -105.72 -13.87 15.42 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.35 1.46 . . . . 0.0 110.424 177.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.4 mtt-85 -96.59 -52.76 3.81 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -28.76 68.17 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 173.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.68 -4.35 15.37 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 172.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -109.95 12.46 23.75 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.593 1.157 . . . . 0.0 112.965 174.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -114.75 -64.54 1.3 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.894 1.278 . . . . 0.0 112.784 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -55.61 -20.01 12.23 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.502 174.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.4 -27.93 7.24 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 171.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.12 -28.07 12.89 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 173.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.1 mt -87.36 10.41 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 CA-C-O 122.152 0.977 . . . . 0.0 110.772 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -128.14 133.15 48.92 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.858 1.263 . . . . 0.0 108.02 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -173.69 -53.86 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 113.09 -1.868 . . . . 0.0 110.383 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--O 1.253 1.257 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.956 179.582 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 . . . . . 0 CA--C 1.549 0.915 0 CA-C-O 121.89 0.852 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.41 -89.09 0.07 OUTLIER Glycine 0 N--CA 1.479 1.535 0 CA-C-N 113.194 -1.821 . . . . 0.0 111.316 -177.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.556 ' O ' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -63.72 -32.3 73.74 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 176.28 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.97 -26.35 47.87 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 173.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 t -93.71 -25.27 17.52 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.935 1.294 . . . . 0.0 112.642 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.42 -29.09 67.5 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.352 0.661 . . . . 0.0 111.764 174.121 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.54 1.01 54.75 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.884 175.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.0 m -100.69 -12.46 19.13 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.578 1.151 . . . . 0.0 110.82 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -104.99 -54.15 2.54 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.051 1.34 . . . . 0.0 112.513 177.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -30.9 69.25 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 174.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.47 0.5 8.21 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -109.72 15.33 22.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.242 1.017 . . . . 0.0 112.272 173.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -114.22 -67.16 1.02 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.87 1.268 . . . . 0.0 112.24 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -62.81 -10.61 13.68 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 114.27 -1.332 . . . . 0.0 112.428 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.21 -27.88 10.05 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.309 1.044 . . . . 0.0 112.333 171.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.36 -29.71 10.57 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.352 -0.84 . . . . 0.0 113.254 174.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.8 mt -80.95 8.05 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.667 0.787 . . . . 0.0 111.717 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 56.53 111.94 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.761 1.624 . . . . 0.0 112.573 -173.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.08 -45.58 71.8 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.063 175.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.12 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.578 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 . . . . . 0 CA--C 1.547 0.833 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.58 -86.61 0.07 OUTLIER Glycine 0 N--CA 1.476 1.364 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.561 -177.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.555 ' O ' HG22 ' A' ' 6' ' ' THR . 0.7 OUTLIER -63.81 -33.63 76.1 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 176.128 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.3 -24.56 44.2 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 173.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.34 -24.37 15.68 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.738 1.215 . . . . 0.0 112.394 176.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -60.05 -29.4 68.5 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.786 0.834 . . . . 0.0 111.782 173.742 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.39 2.97 51.55 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.002 -0.999 . . . . 0.0 113.05 175.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.1 m -103.82 -12.65 16.8 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.749 1.219 . . . . 0.0 110.599 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 4.8 mmm180 -101.47 -53.74 2.92 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.336 1.454 . . . . 0.0 112.233 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.521 ' CZ3' ' HB2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -60.69 -28.92 68.99 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 173.868 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.79 -2.68 12.74 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 172.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.465 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 38.1 t60 -104.02 -7.81 20.03 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.355 1.462 . . . . 0.0 111.729 174.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -101.24 -65.06 1.0 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.895 0.878 . . . . 0.0 110.692 -175.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.521 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 28.8 t30 -59.5 -13.54 9.34 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.813 170.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.91 -27.06 2.82 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 174.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.42 -30.45 10.56 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 173.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.4 mm -82.13 6.65 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 CA-C-O 122.503 1.144 . . . . 0.0 111.8 176.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -81.56 147.02 29.85 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.486 1.115 . . . . 0.0 108.66 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 56.03 56.95 5.46 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 123.823 1.773 . . . . 0.0 110.535 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 t80 . . . . . 0 C--O 1.252 1.218 0 CA-C-N 112.399 -2.182 . . . . 0.0 112.127 -179.348 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.846 0.355 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.24 -83.35 0.06 OUTLIER Glycine 0 N--CA 1.477 1.386 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.511 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.5 pt? -65.48 -37.21 86.17 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.509 1.299 . . . . 0.0 114.509 177.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.405 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -56.44 -23.97 42.29 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.817 0.847 . . . . 0.0 112.713 174.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.81 -30.71 11.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.964 1.305 . . . . 0.0 112.073 177.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -55.62 -29.56 59.4 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.907 0.883 . . . . 0.0 112.919 171.685 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.5 mt -91.87 9.34 33.28 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.685 -1.143 . . . . 0.0 113.442 175.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -107.06 -12.36 15.43 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.632 1.173 . . . . 0.0 110.527 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 8.8 mtp180 -107.14 -52.28 2.79 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.895 0.878 . . . . 0.0 112.583 176.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.509 ' CZ3' ' HB2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -60.17 -29.07 68.45 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 173.856 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -72.56 1.55 7.96 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 173.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.451 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 38.3 t60 -106.96 -12.28 15.49 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.704 1.602 . . . . 0.0 111.739 173.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -91.6 -72.99 0.56 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.819 1.248 . . . . 0.0 111.89 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.509 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 53.7 t30 -62.69 -13.13 28.68 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 114.242 -1.344 . . . . 0.0 112.811 176.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -50.26 -26.85 5.16 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.304 0.642 . . . . 0.0 112.468 171.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.9 mt -105.08 -30.74 9.55 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.278 1.031 . . . . 0.0 113.051 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.6 mt -79.75 3.77 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 124.044 0.938 . . . . 0.0 111.856 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 56.62 -81.86 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.428 1.891 . . . . 0.0 113.466 -177.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 32.67 55.26 0.39 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.305 2.242 . . . . 0.0 112.43 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.2 t80 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 111.562 -2.563 . . . . 0.0 110.14 -174.233 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.6 m80 . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.79 -87.37 0.07 OUTLIER Glycine 0 N--CA 1.476 1.344 0 CA-C-N 113.575 -1.648 . . . . 0.0 111.459 -178.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 6' ' ' THR . 0.6 OUTLIER -64.12 -35.82 82.03 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 176.64 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -52.37 -27.29 15.05 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 171.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.96 -25.57 17.2 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.903 1.281 . . . . 0.0 112.905 175.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.85 -29.85 68.57 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.745 0.818 . . . . 0.0 111.621 174.084 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 pp -84.71 -3.73 58.7 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.734 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.1 m -96.82 -14.35 21.95 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.324 1.05 . . . . 0.0 110.817 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -103.05 -55.34 2.44 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 118.468 -0.777 . . . . 0.0 110.565 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -29.31 65.76 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.547 1.067 . . . . 0.0 113.183 176.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.693 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -73.91 7.62 2.48 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 172.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.37 -19.56 20.52 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.572 0.749 . . . . 0.0 111.418 171.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.27 -65.07 1.05 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.117 1.367 . . . . 0.0 110.029 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.424 ' HA ' ' HB ' ' A' ' 17' ' ' ILE . 2.2 m-80 -74.74 2.85 9.07 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 173.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -53.84 -45.67 70.99 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.441 1.096 . . . . 0.0 111.748 173.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 tt -93.67 -15.42 25.32 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.368 -1.287 . . . . 0.0 111.455 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.424 ' HB ' ' HA ' ' A' ' 14' ' ' ASN . 18.9 mt -86.73 11.48 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 C-N-CA 123.371 0.669 . . . . 0.0 109.598 176.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 40.58 61.7 1.56 Allowed 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 123.705 1.717 . . . . 0.0 113.293 173.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.58 -59.17 0.73 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 112.993 -1.912 . . . . 0.0 111.184 -176.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.8 t80 . . . . . 0 C--O 1.258 1.507 0 CA-C-O 116.726 -1.607 . . . . 0.0 111.206 177.699 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.1 t60 . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 121.439 0.638 . . . . 0.0 111.72 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.87 -87.36 0.07 OUTLIER Glycine 0 N--CA 1.48 1.587 0 CA-C-N 113.909 -1.496 . . . . 0.0 111.217 -178.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.572 ' O ' HG22 ' A' ' 6' ' ' THR . 0.6 OUTLIER -63.95 -35.7 81.55 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 176.424 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.423 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -52.34 -27.2 14.52 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 171.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.4 -25.44 16.93 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.92 1.288 . . . . 0.0 112.862 176.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.45 -29.51 67.85 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.882 0.873 . . . . 0.0 111.895 174.081 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mt -90.1 7.68 36.62 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.266 -1.333 . . . . 0.0 114.254 174.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.2 m -105.85 -12.99 15.65 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.842 1.257 . . . . 0.0 110.673 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.35 -53.32 2.74 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.402 1.081 . . . . 0.0 112.685 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -29.03 68.9 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 173.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -70.37 -1.87 11.9 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 172.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.86 4.45 25.43 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.422 1.089 . . . . 0.0 112.655 174.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -102.12 -64.83 1.03 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.428 1.091 . . . . 0.0 110.042 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.46 ' ND2' ' HB2' ' A' ' 19' ' ' ALA . 1.4 m-20 -67.45 -9.71 44.49 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 114.566 -1.197 . . . . 0.0 114.111 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -56.96 -32.0 65.59 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.918 1.287 . . . . 0.0 112.015 173.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.08 -23.31 15.31 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 175.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.2 mm -80.97 7.62 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.919 0.887 . . . . 0.0 110.978 175.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 70.26 -53.46 0.64 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.085 2.154 . . . . 0.0 113.168 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . 57.74 65.87 1.24 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.013 1.725 . . . . 0.0 111.109 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 116.81 -1.567 . . . . 0.0 113.448 -174.172 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.546 0.801 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.94 -91.2 0.08 OUTLIER Glycine 0 N--CA 1.477 1.371 0 CA-C-N 114.182 -1.372 . . . . 0.0 111.312 -177.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -35.06 78.47 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.537 0.939 . . . . 0.0 113.537 177.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.9 -28.13 15.23 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.126 0.97 . . . . 0.0 113.425 172.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -98.34 -22.05 16.3 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.874 1.27 . . . . 0.0 112.652 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.5 m -60.93 -29.28 69.52 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.488 1.115 . . . . 0.0 111.441 173.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp -80.06 -10.23 59.75 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.831 1.253 . . . . 0.0 113.169 170.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.8 m -94.27 -12.69 27.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.09 0.956 . . . . 0.0 110.725 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.0 mtm-85 -99.77 -52.77 3.36 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 176.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.86 -26.85 67.68 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 173.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.52 -5.24 14.24 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 172.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -102.28 12.57 36.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.523 0.729 . . . . 0.0 112.357 174.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -104.33 -54.13 2.59 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.223 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.407 ' HA ' ' HB ' ' A' ' 17' ' ' ILE . 1.9 m120 -57.91 -16.06 10.76 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.611 1.164 . . . . 0.0 112.765 172.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.62 -26.08 4.95 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.538 0.735 . . . . 0.0 112.471 171.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.71 -29.4 10.11 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.841 0.856 . . . . 0.0 112.93 175.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' A' ' 14' ' ' ASN . 14.7 mm -84.6 12.98 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 CA-C-O 122.685 1.231 . . . . 0.0 111.286 175.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.56 149.95 16.39 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.405 1.482 . . . . 0.0 110.261 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.78 68.9 0.71 Allowed 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 124.321 2.01 . . . . 0.0 110.146 -176.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--O 1.254 1.305 0 CA-C-N 112.067 -2.333 . . . . 0.0 111.741 179.814 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.0 p80 . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.84 -88.48 0.07 OUTLIER Glycine 0 N--CA 1.477 1.416 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.52 -177.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.599 ' O ' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -64.83 -32.48 74.19 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 176.068 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.495 ' O ' HD12 ' A' ' 7' ' ' LEU . . . -57.57 -20.28 31.21 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 172.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -101.94 -20.84 14.68 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.391 1.076 . . . . 0.0 112.275 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -59.85 -31.27 69.6 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.942 0.897 . . . . 0.0 111.781 174.394 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -75.35 -16.31 60.4 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.806 174.479 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.0 m -92.68 -12.44 31.48 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.698 1.199 . . . . 0.0 110.773 -177.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -104.72 -52.14 2.93 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.406 ' CZ3' ' HB3' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -55.72 -31.5 62.53 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 170.808 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.18 -2.48 10.52 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 173.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -109.08 13.43 24.57 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.3 1.04 . . . . 0.0 112.525 174.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -117.25 -68.14 0.94 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.798 0.839 . . . . 0.0 110.493 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.406 ' HB3' ' CZ3' ' A' ' 10' ' ' TRP . 12.7 p30 -60.99 -12.81 12.65 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 114.946 -1.024 . . . . 0.0 112.379 172.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.17 -27.75 2.57 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.585 0.754 . . . . 0.0 112.782 174.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.61 -30.65 10.82 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 114.744 -1.116 . . . . 0.0 113.422 174.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.4 mt -82.43 9.87 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 124.419 1.088 . . . . 0.0 111.976 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.54 -48.79 3.36 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.853 0.861 . . . . 0.0 111.903 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 57.27 75.49 0.37 Allowed 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 123.651 1.691 . . . . 0.0 111.191 -175.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.7 t80 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 112.891 -1.959 . . . . 0.0 111.018 179.949 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 . . . . . 0 N--CA 1.485 1.289 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.46 -90.9 0.08 OUTLIER Glycine 0 N--CA 1.476 1.355 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.133 175.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.6 OUTLIER -62.81 -36.77 84.24 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 114.313 -0.943 . . . . 0.0 113.335 176.821 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.447 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -50.75 -28.35 9.02 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 172.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -89.94 -39.12 13.2 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.218 1.007 . . . . 0.0 112.105 177.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.6 p -58.07 -25.92 61.88 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.935 0.894 . . . . 0.0 113.229 172.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.54 7.25 46.79 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.558 1.143 . . . . 0.0 114.026 174.226 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.5 m -105.06 -13.79 15.62 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.412 1.485 . . . . 0.0 110.714 175.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.1 -56.1 2.46 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.076 0.55 . . . . 0.0 111.349 176.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.68 -29.38 59.26 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 121.294 -0.879 . . . . 0.0 113.318 172.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.544 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -68.97 -3.57 13.41 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 173.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -24.08 25.44 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.843 0.857 . . . . 0.0 111.281 174.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CZ ' HG21 ' A' ' 17' ' ' ILE . 74.2 t80 -71.34 -76.08 0.11 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.852 1.261 . . . . 0.0 110.429 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -54.45 -22.74 13.52 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 124.31 1.006 . . . . 0.0 111.723 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -52.35 -42.13 63.65 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.921 0.489 . . . . 0.0 112.046 176.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tp -106.6 -29.1 9.83 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 114.759 -1.11 . . . . 0.0 112.031 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.553 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 25.7 mm -84.76 17.03 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 CA-C-O 122.718 1.247 . . . . 0.0 110.588 175.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -56.38 147.8 20.51 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.593 -1.317 . . . . 0.0 110.989 176.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 54.91 62.25 2.6 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 113.423 -1.717 . . . . 0.0 110.182 -178.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.2 t80 . . . . . 0 C--O 1.253 1.243 0 CA-C-N 114.343 -1.298 . . . . 0.0 114.207 -177.163 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.6 m170 . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 122.744 1.259 . . . . 0.0 113.389 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.21 -86.5 0.07 OUTLIER Glycine 0 N--CA 1.479 1.531 0 CA-C-N 113.257 -1.792 . . . . 0.0 111.5 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -63.7 -35.63 81.19 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 176.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.409 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.05 -27.36 44.08 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.547 0.739 . . . . 0.0 112.559 174.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 t -85.39 -44.68 12.57 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.096 1.359 . . . . 0.0 111.718 175.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -55.87 -25.6 43.16 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 175.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -95.77 9.43 40.46 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.958 1.303 . . . . 0.0 113.952 174.061 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.4 m -105.48 -13.4 15.64 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.707 1.603 . . . . 0.0 110.676 174.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.65 -53.79 2.63 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.193 0.597 . . . . 0.0 112.577 176.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.69 -29.3 67.99 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 174.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.59 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -76.75 11.19 1.79 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 172.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -116.55 8.52 13.96 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.439 1.096 . . . . 0.0 112.423 170.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -110.33 -83.26 0.57 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.927 1.291 . . . . 0.0 110.868 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.474 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 3.1 t30 -65.45 -8.81 20.9 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.681 174.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -45.34 -31.78 1.77 Allowed 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 119.484 1.038 . . . . 0.0 113.729 169.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.0 -29.18 11.94 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.318 -0.855 . . . . 0.0 113.126 176.143 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.411 ' HB ' ' HA ' ' A' ' 14' ' ' ASN . 12.9 mm -84.03 10.95 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 CA-C-O 122.852 1.31 . . . . 0.0 111.394 175.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -91.82 139.51 30.6 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.952 1.301 . . . . 0.0 108.609 179.413 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.27 64.02 1.54 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 113.893 -1.503 . . . . 0.0 110.079 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.5 t80 . . . . . 0 C--O 1.251 1.139 0 CA-C-N 114.341 -1.3 . . . . 0.0 112.322 179.27 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 4.7 t60 . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.618 0.247 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.44 -91.1 0.08 OUTLIER Glycine 0 N--CA 1.478 1.472 0 O-C-N 124.166 0.916 . . . . 0.0 111.442 176.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.6 OUTLIER -62.67 -33.71 75.62 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 176.623 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.414 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.9 -24.79 39.55 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.855 0.862 . . . . 0.0 112.726 173.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 t -90.87 -40.0 12.0 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.088 0.955 . . . . 0.0 111.884 175.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.0 p -57.87 -26.8 62.59 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 173.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 pp -88.41 -5.19 58.43 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.9 m -95.26 -13.19 25.08 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.153 1.381 . . . . 0.0 111.176 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -103.75 -50.01 3.52 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.516 ' CZ3' ' HB2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -60.61 -29.21 69.08 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 172.658 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.87 0.23 9.65 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 173.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.19 12.57 23.35 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.002 0.921 . . . . 0.0 112.385 174.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.77 -68.98 0.88 Allowed 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.905 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.516 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 62.0 t30 -60.44 -12.87 10.73 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 114.843 -1.071 . . . . 0.0 112.907 172.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.4 -27.31 6.15 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 172.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.18 -30.77 10.93 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.224 1.01 . . . . 0.0 113.483 174.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.2 mt -82.84 9.61 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 124.57 1.148 . . . . 0.0 111.732 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.491 ' HG3' ' ND2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -87.73 90.84 8.53 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.877 1.271 . . . . 0.0 110.574 -179.52 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -161.12 63.84 0.28 Allowed 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 112.639 -2.073 . . . . 0.0 111.314 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.251 0 CA-C-N 113.76 -1.563 . . . . 0.0 112.939 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 60.5 m170 . . . . . 0 N--CA 1.486 1.364 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 177.97 -87.55 0.07 OUTLIER Glycine 0 N--CA 1.477 1.386 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.156 176.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.427 ' H ' HD23 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -64.4 -35.39 80.75 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 114.038 -1.081 . . . . 0.0 113.655 176.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.416 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.13 -25.74 33.8 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.537 0.735 . . . . 0.0 112.574 174.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -91.36 -39.19 12.16 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.52 1.128 . . . . 0.0 111.805 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.1 p -58.29 -26.24 62.76 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.77 0.828 . . . . 0.0 113.227 172.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.14 9.35 39.94 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.478 1.111 . . . . 0.0 113.844 173.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.0 m -104.44 -11.31 17.13 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.737 1.215 . . . . 0.0 110.797 174.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 51.8 mtp180 -107.77 -52.93 2.69 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 177.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.459 ' CZ3' ' HB2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -60.28 -28.87 68.42 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 173.748 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -76.62 10.67 2.02 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 173.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.446 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 31.5 t60 -112.93 -8.65 13.68 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.629 1.572 . . . . 0.0 111.52 171.131 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.47 -75.28 0.55 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.615 1.166 . . . . 0.0 110.628 -177.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 2.0 m120 -71.94 -9.28 58.13 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.545 -1.207 . . . . 0.0 113.562 174.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -46.79 -30.23 2.33 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 171.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -103.4 -29.0 11.48 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.844 1.054 . . . . 0.0 113.844 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.4 mt -82.82 10.3 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-O 122.53 1.157 . . . . 0.0 111.275 174.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.76 117.0 11.71 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.978 1.311 . . . . 0.0 109.746 178.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -148.13 -63.03 0.26 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 112.559 -2.11 . . . . 0.0 109.882 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 t80 . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 116.924 -1.512 . . . . 0.0 111.132 178.034 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.88 -24.84 39.54 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.042 0.937 . . . . 0.0 112.923 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -103.49 -24.89 13.4 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.001 1.321 . . . . 0.0 112.319 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.9 m -56.33 -27.68 56.53 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.62 1.168 . . . . 0.0 112.144 171.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.22 7.97 38.16 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.2 m -106.13 -12.01 15.9 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.98 1.312 . . . . 0.0 110.433 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 0.4 OUTLIER -107.38 -54.51 2.47 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.406 0.682 . . . . 0.0 112.315 177.275 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.37 -29.59 61.63 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 171.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.95 -0.18 10.83 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 33.8 t60 -105.26 -9.88 17.39 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.453 1.501 . . . . 0.0 111.544 174.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.825 0 C-N-CA 124.289 1.036 . . . . 0.0 111.125 -176.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.557 ' O ' HG22 ' A' ' 6' ' ' THR . 1.2 pt? . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.84 -25.3 41.27 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 173.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -96.0 -26.07 15.69 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.99 1.316 . . . . 0.0 112.629 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -59.12 -28.83 66.9 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.792 0.806 . . . . 0.0 111.835 174.743 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mt -90.37 4.76 49.93 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 114.226 -1.352 . . . . 0.0 112.956 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 m -107.64 -8.31 16.18 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.424 1.49 . . . . 0.0 109.782 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.58 -51.06 2.96 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.106 -0.996 . . . . 0.0 111.776 175.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -29.11 68.1 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 173.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.11 2.28 6.08 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 173.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -107.74 8.92 29.12 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 121.624 0.726 . . . . 0.0 111.421 175.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 N--CA 1.476 0.86 0 C-N-CA 125.011 1.324 . . . . 0.0 110.836 -179.911 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.559 ' O ' HG22 ' A' ' 6' ' ' THR . 1.4 pt? . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.27 -24.88 45.81 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 173.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -97.61 -24.39 15.56 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.894 1.278 . . . . 0.0 112.466 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -59.88 -28.87 67.92 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.954 0.902 . . . . 0.0 111.827 173.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -91.12 7.34 41.08 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 114.266 -1.334 . . . . 0.0 113.112 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.7 m -106.56 -13.1 15.41 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.98 1.312 . . . . 0.0 110.387 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.09 -53.16 2.79 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.928 0.891 . . . . 0.0 112.535 176.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.63 -29.91 68.35 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 174.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.42 -2.46 13.85 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.565 1.321 . . . . 0.0 114.565 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -109.81 12.03 24.14 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.364 1.066 . . . . 0.0 112.345 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 N--CA 1.474 0.76 0 C-N-CA 124.318 1.047 . . . . 0.0 112.176 177.113 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.64 -24.64 49.8 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.994 0.918 . . . . 0.0 112.939 174.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -100.26 -27.29 13.57 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.178 1.391 . . . . 0.0 112.125 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.5 m -55.24 -28.59 54.3 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.325 1.05 . . . . 0.0 112.169 172.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.46 -0.28 55.7 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 173.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.0 m -101.34 -13.15 18.14 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.425 1.49 . . . . 0.0 110.717 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -102.52 -54.76 2.6 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.64 0.776 . . . . 0.0 112.62 176.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.85 -30.94 62.27 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 172.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.39 -1.64 11.28 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -109.91 13.18 23.57 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.301 1.04 . . . . 0.0 112.409 174.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 t80 . . . . . 0 N--CA 1.475 0.791 0 C-N-CA 123.954 0.902 . . . . 0.0 110.765 178.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 1.4 pt? . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.405 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.73 -24.76 36.78 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.197 0.999 . . . . 0.0 112.863 174.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -104.94 -24.62 12.82 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.061 1.344 . . . . 0.0 112.246 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.9 m -56.56 -27.3 57.41 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.628 1.171 . . . . 0.0 112.152 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.7 mt -91.55 7.46 41.28 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 173.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.0 m -105.77 -12.66 15.8 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.353 1.461 . . . . 0.0 110.47 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.34 -55.09 2.38 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 176.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.72 -29.8 62.86 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 171.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.28 0.21 10.51 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 173.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.36 14.1 21.57 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.235 1.014 . . . . 0.0 112.149 174.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 N--CA 1.476 0.826 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.965 -179.459 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.544 ' O ' HG22 ' A' ' 6' ' ' THR . 1.4 pt? . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.62 -23.98 44.86 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 173.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -98.1 -24.55 15.26 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.89 1.276 . . . . 0.0 112.495 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.84 -29.59 68.38 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.594 0.758 . . . . 0.0 111.801 174.031 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.26 5.3 45.49 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.859 175.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m -104.32 -12.8 16.4 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.31 1.044 . . . . 0.0 110.228 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.9 ttm105 -106.5 -52.08 2.84 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.932 0.493 . . . . 0.0 111.891 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -30.08 67.28 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 175.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.61 0.1 9.43 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 173.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -111.23 14.17 21.73 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.161 0.984 . . . . 0.0 112.078 173.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 N--CA 1.474 0.765 0 C-N-CA 124.037 0.935 . . . . 0.0 110.657 -179.675 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.557 ' O ' HG22 ' A' ' 6' ' ' THR . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.14 -26.01 48.5 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 173.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 t -93.3 -26.9 17.11 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.758 1.623 . . . . 0.0 112.677 175.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.27 -29.4 67.55 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 121.664 0.745 . . . . 0.0 111.924 175.368 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.5 tp -85.41 -0.28 54.39 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 114.32 -1.309 . . . . 0.0 113.157 172.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.9 m -100.22 -11.69 20.19 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 121.143 -0.973 . . . . 0.0 111.089 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 -106.66 -53.23 2.65 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.143 0.977 . . . . 0.0 112.687 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -29.08 68.82 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 174.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.06 1.79 8.32 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 173.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.53 10.01 25.2 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.212 1.005 . . . . 0.0 112.259 173.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 N--CA 1.476 0.869 0 C-N-CA 125.192 1.397 . . . . 0.0 111.257 178.183 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.409 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -56.21 -24.57 42.82 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.177 0.991 . . . . 0.0 112.832 174.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -103.33 -24.68 13.49 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.793 1.237 . . . . 0.0 112.041 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.3 m -56.58 -28.4 60.17 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.577 1.151 . . . . 0.0 112.059 170.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.92 4.44 47.97 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 172.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.4 m -102.65 -12.79 17.45 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.89 1.276 . . . . 0.0 110.579 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.455 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 31.2 mtp180 -105.26 -51.56 3.0 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.588 0.755 . . . . 0.0 112.655 176.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -28.54 68.66 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 173.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.15 -0.81 10.53 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 172.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.455 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 33.9 t60 -104.03 -11.58 17.3 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.465 1.506 . . . . 0.0 111.634 174.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.803 0 C-N-CA 124.783 1.233 . . . . 0.0 110.898 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.04 -25.07 43.2 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.296 1.038 . . . . 0.0 113.069 174.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.56 -26.26 13.29 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.55 1.54 . . . . 0.0 112.781 175.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.0 m -56.19 -28.28 57.64 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.596 1.158 . . . . 0.0 112.081 172.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -87.83 3.24 49.04 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 171.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.0 m -105.72 -13.87 15.42 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.35 1.46 . . . . 0.0 110.424 177.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.4 mtt-85 -96.59 -52.76 3.81 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -28.76 68.17 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 173.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.68 -4.35 15.37 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 172.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -109.95 12.46 23.75 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.593 1.157 . . . . 0.0 112.965 174.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 124.894 1.278 . . . . 0.0 112.784 177.534 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.556 ' O ' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.97 -26.35 47.87 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 173.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 t -93.71 -25.27 17.52 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.935 1.294 . . . . 0.0 112.642 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.42 -29.09 67.5 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.352 0.661 . . . . 0.0 111.764 174.121 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.54 1.01 54.75 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.884 175.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.0 m -100.69 -12.46 19.13 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.578 1.151 . . . . 0.0 110.82 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -104.99 -54.15 2.54 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.051 1.34 . . . . 0.0 112.513 177.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -30.9 69.25 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 174.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.47 0.5 8.21 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -109.72 15.33 22.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.242 1.017 . . . . 0.0 112.272 173.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 N--CA 1.478 0.926 0 C-N-CA 124.87 1.268 . . . . 0.0 112.24 177.587 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.555 ' O ' HG22 ' A' ' 6' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.3 -24.56 44.2 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 173.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.34 -24.37 15.68 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.738 1.215 . . . . 0.0 112.394 176.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -60.05 -29.4 68.5 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.786 0.834 . . . . 0.0 111.782 173.742 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.39 2.97 51.55 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.002 -0.999 . . . . 0.0 113.05 175.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.1 m -103.82 -12.65 16.8 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.749 1.219 . . . . 0.0 110.599 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 4.8 mmm180 -101.47 -53.74 2.92 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.336 1.454 . . . . 0.0 112.233 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -28.92 68.99 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 173.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.79 -2.68 12.74 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 172.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.465 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 38.1 t60 -104.02 -7.81 20.03 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.355 1.462 . . . . 0.0 111.729 174.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 N--CA 1.475 0.796 0 C-N-CA 123.895 0.878 . . . . 0.0 110.692 -175.271 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.445 ' O ' HG22 ' A' ' 6' ' ' THR . 1.5 pt? . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 114.509 1.299 . . . . 0.0 114.509 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.405 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -56.44 -23.97 42.29 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.817 0.847 . . . . 0.0 112.713 174.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.81 -30.71 11.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.964 1.305 . . . . 0.0 112.073 177.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -55.62 -29.56 59.4 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.907 0.883 . . . . 0.0 112.919 171.685 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.5 mt -91.87 9.34 33.28 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.685 -1.143 . . . . 0.0 113.442 175.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -107.06 -12.36 15.43 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.632 1.173 . . . . 0.0 110.527 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.451 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 8.8 mtp180 -107.14 -52.28 2.79 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.895 0.878 . . . . 0.0 112.583 176.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.17 -29.07 68.45 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 173.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.56 1.55 7.96 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 173.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.451 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 38.3 t60 -106.96 -12.28 15.49 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.704 1.602 . . . . 0.0 111.739 173.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 . . . . . 0 N--CA 1.476 0.874 0 C-N-CA 124.819 1.248 . . . . 0.0 111.89 -179.151 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 6' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.48 1.075 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -52.37 -27.29 15.05 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 171.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.96 -25.57 17.2 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.903 1.281 . . . . 0.0 112.905 175.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.85 -29.85 68.57 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.745 0.818 . . . . 0.0 111.621 174.084 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 pp -84.71 -3.73 58.7 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.734 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.1 m -96.82 -14.35 21.95 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.324 1.05 . . . . 0.0 110.817 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -103.05 -55.34 2.44 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 118.468 -0.777 . . . . 0.0 110.565 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -29.31 65.76 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.547 1.067 . . . . 0.0 113.183 176.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.91 7.62 2.48 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 172.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.37 -19.56 20.52 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.572 0.749 . . . . 0.0 111.418 171.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.669 0 C-N-CA 125.117 1.367 . . . . 0.0 110.029 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.572 ' O ' HG22 ' A' ' 6' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.482 1.134 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.423 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -52.34 -27.2 14.52 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 171.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.4 -25.44 16.93 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.92 1.288 . . . . 0.0 112.862 176.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.45 -29.51 67.85 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.882 0.873 . . . . 0.0 111.895 174.081 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mt -90.1 7.68 36.62 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.266 -1.333 . . . . 0.0 114.254 174.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.2 m -105.85 -12.99 15.65 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.842 1.257 . . . . 0.0 110.673 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.35 -53.32 2.74 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.402 1.081 . . . . 0.0 112.685 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -29.03 68.9 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 173.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.37 -1.87 11.9 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.86 4.45 25.43 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.422 1.089 . . . . 0.0 112.655 174.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 N--CA 1.474 0.753 0 C-N-CA 124.428 1.091 . . . . 0.0 110.042 179.221 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 113.537 0.939 . . . . 0.0 113.537 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.9 -28.13 15.23 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.126 0.97 . . . . 0.0 113.425 172.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -98.34 -22.05 16.3 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.874 1.27 . . . . 0.0 112.652 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.5 m -60.93 -29.28 69.52 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.488 1.115 . . . . 0.0 111.441 173.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp -80.06 -10.23 59.75 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.831 1.253 . . . . 0.0 113.169 170.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.8 m -94.27 -12.69 27.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.09 0.956 . . . . 0.0 110.725 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.0 mtm-85 -99.77 -52.77 3.36 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 176.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.86 -26.85 67.68 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 173.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.52 -5.24 14.24 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 172.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -102.28 12.57 36.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.523 0.729 . . . . 0.0 112.357 174.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 N--CA 1.475 0.816 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.223 179.375 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.599 ' O ' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.481 1.079 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.495 ' O ' HD12 ' A' ' 7' ' ' LEU . . . -57.57 -20.28 31.21 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 172.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -101.94 -20.84 14.68 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.391 1.076 . . . . 0.0 112.275 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -59.85 -31.27 69.6 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.942 0.897 . . . . 0.0 111.781 174.394 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -75.35 -16.31 60.4 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.806 174.479 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.0 m -92.68 -12.44 31.48 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.698 1.199 . . . . 0.0 110.773 -177.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -104.72 -52.14 2.93 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.72 -31.5 62.53 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 170.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.18 -2.48 10.52 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 173.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -109.08 13.43 24.57 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.3 1.04 . . . . 0.0 112.525 174.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 N--CA 1.474 0.725 0 C-N-CA 123.798 0.839 . . . . 0.0 110.493 -179.513 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.447 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -50.75 -28.35 9.02 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 172.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -89.94 -39.12 13.2 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.218 1.007 . . . . 0.0 112.105 177.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.6 p -58.07 -25.92 61.88 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.935 0.894 . . . . 0.0 113.229 172.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.54 7.25 46.79 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.558 1.143 . . . . 0.0 114.026 174.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.5 m -105.06 -13.79 15.62 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.412 1.485 . . . . 0.0 110.714 175.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.1 -56.1 2.46 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.076 0.55 . . . . 0.0 111.349 176.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.68 -29.38 59.26 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 121.294 -0.879 . . . . 0.0 113.318 172.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.97 -3.57 13.41 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -24.08 25.44 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.843 0.857 . . . . 0.0 111.281 174.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.2 t80 . . . . . 0 N--CA 1.475 0.809 0 C-N-CA 124.852 1.261 . . . . 0.0 110.429 178.573 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.409 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.05 -27.36 44.08 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.547 0.739 . . . . 0.0 112.559 174.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 t -85.39 -44.68 12.57 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.096 1.359 . . . . 0.0 111.718 175.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -55.87 -25.6 43.16 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 175.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -95.77 9.43 40.46 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.958 1.303 . . . . 0.0 113.952 174.061 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.4 m -105.48 -13.4 15.64 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.707 1.603 . . . . 0.0 110.676 174.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.65 -53.79 2.63 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.193 0.597 . . . . 0.0 112.577 176.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.69 -29.3 67.99 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 174.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.75 11.19 1.79 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 172.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -116.55 8.52 13.96 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.439 1.096 . . . . 0.0 112.423 170.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 . . . . . 0 N--CA 1.477 0.916 0 C-N-CA 124.927 1.291 . . . . 0.0 110.868 177.836 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.414 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.9 -24.79 39.55 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.855 0.862 . . . . 0.0 112.726 173.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 t -90.87 -40.0 12.0 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.088 0.955 . . . . 0.0 111.884 175.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.0 p -57.87 -26.8 62.59 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 173.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 pp -88.41 -5.19 58.43 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.9 m -95.26 -13.19 25.08 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.153 1.381 . . . . 0.0 111.176 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -103.75 -50.01 3.52 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.61 -29.21 69.08 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 172.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.87 0.23 9.65 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 173.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.19 12.57 23.35 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.002 0.921 . . . . 0.0 112.385 174.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.796 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.905 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.416 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.13 -25.74 33.8 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.537 0.735 . . . . 0.0 112.574 174.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -91.36 -39.19 12.16 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.52 1.128 . . . . 0.0 111.805 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.1 p -58.29 -26.24 62.76 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.77 0.828 . . . . 0.0 113.227 172.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.14 9.35 39.94 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.478 1.111 . . . . 0.0 113.844 173.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.0 m -104.44 -11.31 17.13 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.737 1.215 . . . . 0.0 110.797 174.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 51.8 mtp180 -107.77 -52.93 2.69 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 177.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.28 -28.87 68.42 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 173.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.62 10.67 2.02 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 173.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.446 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 31.5 t60 -112.93 -8.65 13.68 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.629 1.572 . . . . 0.0 111.52 171.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.775 0 C-N-CA 124.615 1.166 . . . . 0.0 110.628 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 24.7 m80 . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.73 -88.21 0.07 OUTLIER Glycine 0 N--CA 1.475 1.262 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.481 HD23 ' H ' ' A' ' 3' ' ' LEU . 1.4 pt? -63.2 -37.01 85.53 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 113.441 -1.379 . . . . 0.0 114.3 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.88 -24.84 39.54 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.042 0.937 . . . . 0.0 112.923 174.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -103.49 -24.89 13.4 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.001 1.321 . . . . 0.0 112.319 176.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.9 m -56.33 -27.68 56.53 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 124.62 1.168 . . . . 0.0 112.144 171.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.22 7.97 38.16 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.2 m -106.13 -12.01 15.9 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.98 1.312 . . . . 0.0 110.433 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 0.4 OUTLIER -107.38 -54.51 2.47 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.406 0.682 . . . . 0.0 112.315 177.275 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.527 ' CZ3' ' HB2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -56.37 -29.59 61.63 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 171.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.95 -0.18 10.83 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.469 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 33.8 t60 -105.26 -9.88 17.39 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.453 1.501 . . . . 0.0 111.544 174.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -95.52 -68.7 0.79 Allowed 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.289 1.036 . . . . 0.0 111.125 -176.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 24.2 t30 -62.35 -9.77 9.19 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 114.812 -1.086 . . . . 0.0 112.522 172.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.65 -26.96 6.04 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.024 0.749 . . . . 0.0 113.024 172.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mt -104.07 -30.02 10.51 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.866 1.266 . . . . 0.0 113.399 175.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.0 mt -83.32 9.62 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 C-N-CA 124.687 1.195 . . . . 0.0 111.784 175.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -93.87 144.99 24.94 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.491 1.138 . . . . 0.0 109.18 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -120.57 -56.55 1.96 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 112.966 -1.924 . . . . 0.0 111.615 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.9 t80 . . . . . 0 C--O 1.253 1.24 0 CA-C-O 117.421 -1.276 . . . . 0.0 111.79 -179.415 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 . . . . . 0 CA--C 1.546 0.807 0 CA-C-O 121.004 0.43 . . . . 0.0 111.375 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.08 -83.86 0.06 OUTLIER Glycine 0 N--CA 1.477 1.407 0 CA-C-N 114.668 -1.151 . . . . 0.0 111.12 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.557 ' O ' HG22 ' A' ' 6' ' ' THR . 1.2 pt? -64.7 -35.46 81.12 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 175.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.84 -25.3 41.27 Favored 'General case' 0 N--CA 1.479 1.018 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 173.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -96.0 -26.07 15.69 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.99 1.316 . . . . 0.0 112.629 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -59.12 -28.83 66.9 Favored 'General case' 0 N--CA 1.487 1.394 0 CA-C-O 121.792 0.806 . . . . 0.0 111.835 174.743 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mt -90.37 4.76 49.93 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 114.226 -1.352 . . . . 0.0 112.956 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.1 m -107.64 -8.31 16.18 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.424 1.49 . . . . 0.0 109.782 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.58 -51.06 2.96 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.106 -0.996 . . . . 0.0 111.776 175.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -29.11 68.1 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 173.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -72.11 2.28 6.08 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 173.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -107.74 8.92 29.12 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-O 121.624 0.726 . . . . 0.0 111.421 175.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -117.45 -75.87 0.58 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.011 1.324 . . . . 0.0 110.836 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -54.87 -22.99 16.46 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.817 0.847 . . . . 0.0 112.177 175.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -52.82 -41.58 64.34 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 121.615 -0.678 . . . . 0.0 112.49 173.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.35 -22.48 11.69 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 177.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.3 mm -87.33 11.45 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 C-N-CA 124.595 1.158 . . . . 0.0 110.391 174.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.28 148.66 51.52 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.305 -0.872 . . . . 0.0 110.418 175.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -172.26 -55.0 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 113.102 -1.863 . . . . 0.0 110.647 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 117.629 -1.177 . . . . 0.0 113.766 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.87 -82.73 0.06 OUTLIER Glycine 0 N--CA 1.475 1.289 0 CA-C-N 113.89 -1.505 . . . . 0.0 111.426 -177.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.559 ' O ' HG22 ' A' ' 6' ' ' THR . 1.4 pt? -64.94 -35.81 82.36 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 176.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.27 -24.88 45.81 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 173.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -97.61 -24.39 15.56 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.894 1.278 . . . . 0.0 112.466 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -59.88 -28.87 67.92 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 123.954 0.902 . . . . 0.0 111.827 173.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.2 mt -91.12 7.34 41.08 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 114.266 -1.334 . . . . 0.0 113.112 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.7 m -106.56 -13.1 15.41 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.98 1.312 . . . . 0.0 110.387 177.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.09 -53.16 2.79 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.928 0.891 . . . . 0.0 112.535 176.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.498 ' CZ3' ' HB3' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -59.63 -29.91 68.35 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 174.29 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.42 -2.46 13.85 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.565 1.321 . . . . 0.0 114.565 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -109.81 12.03 24.14 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.364 1.066 . . . . 0.0 112.345 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -114.59 -65.93 1.14 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.318 1.047 . . . . 0.0 112.176 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.498 ' HB3' ' CZ3' ' A' ' 10' ' ' TRP . 8.5 p-10 -55.93 -20.52 16.35 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 114.744 -1.116 . . . . 0.0 111.343 173.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.26 -40.57 61.89 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 119.031 0.832 . . . . 0.0 112.509 175.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.18 -27.69 9.44 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.148 175.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.3 mt -83.62 14.02 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-O 122.308 1.051 . . . . 0.0 111.162 175.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.96 -177.35 1.61 Allowed 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.705 -1.247 . . . . 0.0 111.262 175.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -144.91 40.82 1.27 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 113.723 -1.581 . . . . 0.0 110.989 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.3 t80 . . . . . 0 C--O 1.252 1.213 0 CA-C-O 117.33 -1.319 . . . . 0.0 112.392 178.914 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.95 -87.52 0.07 OUTLIER Glycine 0 N--CA 1.476 1.338 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 177.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.491 HD23 ' H ' ' A' ' 3' ' ' LEU . 1.4 pt? -64.02 -36.48 84.11 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 113.536 -1.332 . . . . 0.0 114.398 178.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.64 -24.64 49.8 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.994 0.918 . . . . 0.0 112.939 174.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -100.26 -27.29 13.57 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.178 1.391 . . . . 0.0 112.125 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.5 m -55.24 -28.59 54.3 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.325 1.05 . . . . 0.0 112.169 172.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.46 -0.28 55.7 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 173.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.0 m -101.34 -13.15 18.14 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.425 1.49 . . . . 0.0 110.717 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -102.52 -54.76 2.6 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.64 0.776 . . . . 0.0 112.62 176.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.518 ' CZ3' ' HB3' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -55.85 -30.94 62.27 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 172.422 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.39 -1.64 11.28 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -109.91 13.18 23.57 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.301 1.04 . . . . 0.0 112.409 174.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -117.87 -70.38 0.8 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.954 0.902 . . . . 0.0 110.765 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.518 ' HB3' ' CZ3' ' A' ' 10' ' ' TRP . 24.8 p-10 -60.37 -12.61 9.76 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.874 173.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.28 -26.03 2.76 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.97 0.908 . . . . 0.0 112.728 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.9 mt -104.68 -30.08 10.18 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.786 1.234 . . . . 0.0 113.008 174.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.423 ' HB ' ' HA ' ' A' ' 14' ' ' ASN . 16.0 mm -83.7 10.36 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 C-N-CA 124.536 1.134 . . . . 0.0 111.776 176.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.1 151.45 8.54 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.042 1.737 . . . . 0.0 110.494 -176.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -131.98 52.54 2.06 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 114.196 -1.365 . . . . 0.0 111.257 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.8 t80 . . . . . 0 N--CA 1.483 1.204 0 CA-C-N 114.021 -1.445 . . . . 0.0 112.207 178.59 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 55.5 m80 . . . . . 0 CA--C 1.55 0.975 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.15 -88.88 0.07 OUTLIER Glycine 0 N--CA 1.477 1.368 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.488 HD23 ' H ' ' A' ' 3' ' ' LEU . 1.4 pt? -62.93 -36.75 84.44 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 178.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.405 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.73 -24.76 36.78 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.197 0.999 . . . . 0.0 112.863 174.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -104.94 -24.62 12.82 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.061 1.344 . . . . 0.0 112.246 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.9 m -56.56 -27.3 57.41 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.628 1.171 . . . . 0.0 112.152 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.7 mt -91.55 7.46 41.28 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 173.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.0 m -105.77 -12.66 15.8 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.353 1.461 . . . . 0.0 110.47 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.34 -55.09 2.38 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 176.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.574 ' CZ3' ' HB2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -56.72 -29.8 62.86 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 171.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.28 0.21 10.51 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 173.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.36 14.1 21.57 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.235 1.014 . . . . 0.0 112.149 174.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -121.24 -63.65 1.31 Allowed 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.965 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.574 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 64.0 t30 -58.53 -14.71 8.68 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 114.712 -1.131 . . . . 0.0 113.726 173.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.16 -27.77 9.44 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.695 0.798 . . . . 0.0 112.639 170.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mp -102.05 -30.14 11.36 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 173.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.5 mm -86.11 15.97 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 124.238 1.015 . . . . 0.0 111.302 176.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.63 108.09 0.07 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.377 2.271 . . . . 0.0 113.149 178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.16 64.24 1.15 Allowed 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 114.517 -1.219 . . . . 0.0 112.238 -178.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 116.82 -1.562 . . . . 0.0 113.432 -176.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 29.7 p80 . . . . . 0 CA--C 1.544 0.749 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.36 -82.74 0.06 OUTLIER Glycine 0 N--CA 1.476 1.321 0 CA-C-N 114.566 -1.197 . . . . 0.0 111.318 -177.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.544 ' O ' HG22 ' A' ' 6' ' ' THR . 1.4 pt? -64.93 -35.76 82.2 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 176.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.62 -23.98 44.86 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 173.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -98.1 -24.55 15.26 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.89 1.276 . . . . 0.0 112.495 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.84 -29.59 68.38 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.594 0.758 . . . . 0.0 111.801 174.031 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.26 5.3 45.49 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.859 175.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.4 m -104.32 -12.8 16.4 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.31 1.044 . . . . 0.0 110.228 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.9 ttm105 -106.5 -52.08 2.84 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 122.932 0.493 . . . . 0.0 111.891 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.511 ' CZ3' ' HB3' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -58.77 -30.08 67.28 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 175.096 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.61 0.1 9.43 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 173.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -111.23 14.17 21.73 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.161 0.984 . . . . 0.0 112.078 173.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -118.62 -66.13 1.11 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.037 0.935 . . . . 0.0 110.657 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.511 ' HB3' ' CZ3' ' A' ' 10' ' ' TRP . 9.6 p30 -59.79 -14.53 15.17 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.581 172.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.62 -26.85 2.46 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.635 0.774 . . . . 0.0 112.707 176.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tt -104.07 -31.37 9.71 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.63 174.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.8 mm -82.0 11.66 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 124.208 1.003 . . . . 0.0 111.192 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.19 -42.86 99.41 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.778 0.831 . . . . 0.0 110.378 -177.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 45.23 59.19 3.65 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 123.452 1.596 . . . . 0.0 111.506 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.4 t80 . . . . . 0 C--O 1.251 1.15 0 CA-C-N 112.828 -1.987 . . . . 0.0 112.645 -176.296 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.5 t-160 . . . . . 0 N--CA 1.484 1.23 0 CA-C-O 122.673 1.225 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.61 -85.88 0.07 OUTLIER Glycine 0 N--CA 1.478 1.48 0 CA-C-N 112.818 -1.992 . . . . 0.0 111.136 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.557 ' O ' HG22 ' A' ' 6' ' ' THR . 1.0 OUTLIER -64.57 -34.32 77.98 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 176.463 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.14 -26.01 48.5 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 173.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 t -93.3 -26.9 17.11 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.758 1.623 . . . . 0.0 112.677 175.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.27 -29.4 67.55 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 121.664 0.745 . . . . 0.0 111.924 175.368 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 26.5 tp -85.41 -0.28 54.39 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 114.32 -1.309 . . . . 0.0 113.157 172.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.9 m -100.22 -11.69 20.19 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 121.143 -0.973 . . . . 0.0 111.089 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 -106.66 -53.23 2.65 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.143 0.977 . . . . 0.0 112.687 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.427 ' CZ3' ' HB2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -60.46 -29.08 68.82 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 174.225 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -73.06 1.79 8.32 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 173.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -109.53 10.01 25.2 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.212 1.005 . . . . 0.0 112.259 173.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -113.8 -68.11 0.95 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.192 1.397 . . . . 0.0 111.257 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.427 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 41.4 t30 -65.8 -9.59 29.88 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 114.268 -1.333 . . . . 0.0 112.465 176.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -51.4 -27.47 10.13 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.768 0.827 . . . . 0.0 112.513 171.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 tp -103.7 -30.57 10.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.839 0.856 . . . . 0.0 112.68 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.5 mm -84.66 12.94 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 C-N-CA 124.54 1.136 . . . . 0.0 112.011 178.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 74.06 89.77 0.09 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 127.011 2.124 . . . . 0.0 112.336 -176.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.31 -66.88 0.84 Allowed 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.958 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 116.932 -1.508 . . . . 0.0 113.003 -179.379 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.69 -89.7 0.08 OUTLIER Glycine 0 N--CA 1.477 1.43 0 N-CA-C 110.231 -1.148 . . . . 0.0 110.231 176.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.432 HD23 ' H ' ' A' ' 3' ' ' LEU . 1.0 OUTLIER -63.14 -35.08 79.1 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 113.765 -1.217 . . . . 0.0 114.277 177.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.409 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -56.21 -24.57 42.82 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.177 0.991 . . . . 0.0 112.832 174.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -103.33 -24.68 13.49 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.793 1.237 . . . . 0.0 112.041 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.3 m -56.58 -28.4 60.17 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.577 1.151 . . . . 0.0 112.059 170.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.92 4.44 47.97 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 172.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.4 m -102.65 -12.79 17.45 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.89 1.276 . . . . 0.0 110.579 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.455 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 31.2 mtp180 -105.26 -51.56 3.0 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.588 0.755 . . . . 0.0 112.655 176.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.66 -28.54 68.66 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 173.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -71.15 -0.81 10.53 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 172.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.455 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 33.9 t60 -104.03 -11.58 17.3 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.465 1.506 . . . . 0.0 111.634 174.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -80.78 -74.24 0.33 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.783 1.233 . . . . 0.0 110.898 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -65.13 -8.24 15.95 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 172.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -53.02 -27.85 21.44 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.38 0.672 . . . . 0.0 112.46 173.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mp -103.37 -30.5 10.55 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 174.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.7 mt -81.34 9.13 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 C-N-CA 123.914 0.885 . . . . 0.0 111.308 176.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 67.65 -62.97 0.32 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 128.299 2.64 . . . . 0.0 112.596 -178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.22 -71.02 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.1 t80 . . . . . 0 N--CA 1.491 1.586 0 C-N-CA 124.696 1.198 . . . . 0.0 112.382 -175.662 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.549 0.907 0 CA-C-O 123.272 1.51 . . . . 0.0 113.537 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.24 -87.84 0.07 OUTLIER Glycine 0 N--CA 1.473 1.151 0 CA-C-N 112.633 -2.076 . . . . 0.0 109.804 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.459 HD23 ' H ' ' A' ' 3' ' ' LEU . 1.4 pt? -62.33 -36.84 83.44 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.04 -25.07 43.2 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.296 1.038 . . . . 0.0 113.069 174.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.56 -26.26 13.29 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.55 1.54 . . . . 0.0 112.781 175.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.0 m -56.19 -28.28 57.64 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.596 1.158 . . . . 0.0 112.081 172.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mt -87.83 3.24 49.04 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 171.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.0 m -105.72 -13.87 15.42 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.35 1.46 . . . . 0.0 110.424 177.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.4 mtt-85 -96.59 -52.76 3.81 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -28.76 68.17 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 173.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.68 -4.35 15.37 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 172.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -109.95 12.46 23.75 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.593 1.157 . . . . 0.0 112.965 174.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -114.75 -64.54 1.3 Allowed 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.894 1.278 . . . . 0.0 112.784 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -55.61 -20.01 12.23 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 114.919 -1.037 . . . . 0.0 112.502 174.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.4 -27.93 7.24 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 171.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.12 -28.07 12.89 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 173.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.1 mt -87.36 10.41 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 CA-C-O 122.152 0.977 . . . . 0.0 110.772 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -128.14 133.15 48.92 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.858 1.263 . . . . 0.0 108.02 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -173.69 -53.86 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 113.09 -1.868 . . . . 0.0 110.383 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--O 1.253 1.257 0 CA-C-N 114.679 -1.146 . . . . 0.0 110.956 179.582 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 . . . . . 0 CA--C 1.549 0.915 0 CA-C-O 121.89 0.852 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.41 -89.09 0.07 OUTLIER Glycine 0 N--CA 1.479 1.535 0 CA-C-N 113.194 -1.821 . . . . 0.0 111.316 -177.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.556 ' O ' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -63.72 -32.3 73.74 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 176.28 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.97 -26.35 47.87 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 173.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 t -93.71 -25.27 17.52 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.935 1.294 . . . . 0.0 112.642 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.42 -29.09 67.5 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.352 0.661 . . . . 0.0 111.764 174.121 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.54 1.01 54.75 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.884 175.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.0 m -100.69 -12.46 19.13 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.578 1.151 . . . . 0.0 110.82 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -104.99 -54.15 2.54 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.051 1.34 . . . . 0.0 112.513 177.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -30.9 69.25 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 174.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.47 0.5 8.21 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 174.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -109.72 15.33 22.85 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.242 1.017 . . . . 0.0 112.272 173.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -114.22 -67.16 1.02 Allowed 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.87 1.268 . . . . 0.0 112.24 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -62.81 -10.61 13.68 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 114.27 -1.332 . . . . 0.0 112.428 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.21 -27.88 10.05 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.309 1.044 . . . . 0.0 112.333 171.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.36 -29.71 10.57 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.352 -0.84 . . . . 0.0 113.254 174.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.8 mt -80.95 8.05 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.667 0.787 . . . . 0.0 111.717 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 56.53 111.94 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.761 1.624 . . . . 0.0 112.573 -173.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.08 -45.58 71.8 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.063 175.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.12 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.578 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.8 p80 . . . . . 0 CA--C 1.547 0.833 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.58 -86.61 0.07 OUTLIER Glycine 0 N--CA 1.476 1.364 0 CA-C-N 114.615 -1.175 . . . . 0.0 111.561 -177.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.555 ' O ' HG22 ' A' ' 6' ' ' THR . 0.7 OUTLIER -63.81 -33.63 76.1 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 176.128 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.3 -24.56 44.2 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 173.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.34 -24.37 15.68 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.738 1.215 . . . . 0.0 112.394 176.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -60.05 -29.4 68.5 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.786 0.834 . . . . 0.0 111.782 173.742 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.39 2.97 51.55 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.002 -0.999 . . . . 0.0 113.05 175.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.1 m -103.82 -12.65 16.8 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.749 1.219 . . . . 0.0 110.599 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 4.8 mmm180 -101.47 -53.74 2.92 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.336 1.454 . . . . 0.0 112.233 177.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.521 ' CZ3' ' HB2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -60.69 -28.92 68.99 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 173.868 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.79 -2.68 12.74 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 172.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.465 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 38.1 t60 -104.02 -7.81 20.03 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.355 1.462 . . . . 0.0 111.729 174.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -101.24 -65.06 1.0 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.895 0.878 . . . . 0.0 110.692 -175.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.521 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 28.8 t30 -59.5 -13.54 9.34 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.813 170.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.91 -27.06 2.82 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 174.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.42 -30.45 10.56 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 173.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.4 mm -82.13 6.65 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 CA-C-O 122.503 1.144 . . . . 0.0 111.8 176.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.3 ttt85 -81.56 147.02 29.85 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.486 1.115 . . . . 0.0 108.66 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 56.03 56.95 5.46 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 123.823 1.773 . . . . 0.0 110.535 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 t80 . . . . . 0 C--O 1.252 1.218 0 CA-C-N 112.399 -2.182 . . . . 0.0 112.127 -179.348 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.846 0.355 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.24 -83.35 0.06 OUTLIER Glycine 0 N--CA 1.477 1.386 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.511 HD23 ' H ' ' A' ' 3' ' ' LEU . 1.5 pt? -65.48 -37.21 86.17 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.509 1.299 . . . . 0.0 114.509 177.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.405 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -56.44 -23.97 42.29 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.817 0.847 . . . . 0.0 112.713 174.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.81 -30.71 11.12 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.964 1.305 . . . . 0.0 112.073 177.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.5 OUTLIER -55.62 -29.56 59.4 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 123.907 0.883 . . . . 0.0 112.919 171.685 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.5 mt -91.87 9.34 33.28 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.685 -1.143 . . . . 0.0 113.442 175.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.3 m -107.06 -12.36 15.43 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.632 1.173 . . . . 0.0 110.527 176.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 8.8 mtp180 -107.14 -52.28 2.79 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.895 0.878 . . . . 0.0 112.583 176.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.509 ' CZ3' ' HB2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -60.17 -29.07 68.45 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 173.856 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -72.56 1.55 7.96 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 173.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.451 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 38.3 t60 -106.96 -12.28 15.49 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.704 1.602 . . . . 0.0 111.739 173.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -91.6 -72.99 0.56 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.819 1.248 . . . . 0.0 111.89 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.509 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 53.7 t30 -62.69 -13.13 28.68 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 114.242 -1.344 . . . . 0.0 112.811 176.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -50.26 -26.85 5.16 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.304 0.642 . . . . 0.0 112.468 171.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.9 mt -105.08 -30.74 9.55 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.278 1.031 . . . . 0.0 113.051 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 14.6 mt -79.75 3.77 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 124.044 0.938 . . . . 0.0 111.856 176.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.6 mtt180 56.62 -81.86 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.428 1.891 . . . . 0.0 113.466 -177.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 32.67 55.26 0.39 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 127.305 2.242 . . . . 0.0 112.43 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.2 t80 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 111.562 -2.563 . . . . 0.0 110.14 -174.233 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.6 m80 . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.79 -87.37 0.07 OUTLIER Glycine 0 N--CA 1.476 1.344 0 CA-C-N 113.575 -1.648 . . . . 0.0 111.459 -178.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 6' ' ' THR . 0.6 OUTLIER -64.12 -35.82 82.03 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 176.64 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -52.37 -27.29 15.05 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 171.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.96 -25.57 17.2 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.903 1.281 . . . . 0.0 112.905 175.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.85 -29.85 68.57 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.745 0.818 . . . . 0.0 111.621 174.084 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 pp -84.71 -3.73 58.7 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.968 -1.015 . . . . 0.0 112.734 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.1 m -96.82 -14.35 21.95 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.324 1.05 . . . . 0.0 110.817 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -103.05 -55.34 2.44 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 118.468 -0.777 . . . . 0.0 110.565 176.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -29.31 65.76 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 119.547 1.067 . . . . 0.0 113.183 176.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.693 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -73.91 7.62 2.48 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 172.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.37 -19.56 20.52 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.572 0.749 . . . . 0.0 111.418 171.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.27 -65.07 1.05 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.117 1.367 . . . . 0.0 110.029 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.424 ' HA ' ' HB ' ' A' ' 17' ' ' ILE . 2.2 m-80 -74.74 2.85 9.07 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 173.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -53.84 -45.67 70.99 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.441 1.096 . . . . 0.0 111.748 173.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 tt -93.67 -15.42 25.32 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 114.368 -1.287 . . . . 0.0 111.455 179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.424 ' HB ' ' HA ' ' A' ' 14' ' ' ASN . 18.9 mt -86.73 11.48 1.29 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 C-N-CA 123.371 0.669 . . . . 0.0 109.598 176.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 40.58 61.7 1.56 Allowed 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 123.705 1.717 . . . . 0.0 113.293 173.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -136.58 -59.17 0.73 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 112.993 -1.912 . . . . 0.0 111.184 -176.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.8 t80 . . . . . 0 C--O 1.258 1.507 0 CA-C-O 116.726 -1.607 . . . . 0.0 111.206 177.699 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.1 t60 . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 121.439 0.638 . . . . 0.0 111.72 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.87 -87.36 0.07 OUTLIER Glycine 0 N--CA 1.48 1.587 0 CA-C-N 113.909 -1.496 . . . . 0.0 111.217 -178.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.572 ' O ' HG22 ' A' ' 6' ' ' THR . 0.6 OUTLIER -63.95 -35.7 81.55 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 176.424 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.423 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -52.34 -27.2 14.52 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 171.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.4 -25.44 16.93 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.92 1.288 . . . . 0.0 112.862 176.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -59.45 -29.51 67.85 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 123.882 0.873 . . . . 0.0 111.895 174.081 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 mt -90.1 7.68 36.62 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 114.266 -1.333 . . . . 0.0 114.254 174.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 54.2 m -105.85 -12.99 15.65 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.842 1.257 . . . . 0.0 110.673 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.35 -53.32 2.74 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.402 1.081 . . . . 0.0 112.685 178.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -29.03 68.9 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 173.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -70.37 -1.87 11.9 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 172.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -107.86 4.45 25.43 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.422 1.089 . . . . 0.0 112.655 174.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -102.12 -64.83 1.03 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.428 1.091 . . . . 0.0 110.042 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.46 ' ND2' ' HB2' ' A' ' 19' ' ' ALA . 1.4 m-20 -67.45 -9.71 44.49 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 114.566 -1.197 . . . . 0.0 114.111 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -56.96 -32.0 65.59 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.918 1.287 . . . . 0.0 112.015 173.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.08 -23.31 15.31 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 175.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.2 mm -80.97 7.62 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 123.919 0.887 . . . . 0.0 110.978 175.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mtm180 70.26 -53.46 0.64 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.085 2.154 . . . . 0.0 113.168 -178.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' HB2' ' ND2' ' A' ' 14' ' ' ASN . . . 57.74 65.87 1.24 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.013 1.725 . . . . 0.0 111.109 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 116.81 -1.567 . . . . 0.0 113.448 -174.172 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.546 0.801 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.94 -91.2 0.08 OUTLIER Glycine 0 N--CA 1.477 1.371 0 CA-C-N 114.182 -1.372 . . . . 0.0 111.312 -177.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.68 -35.06 78.47 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.537 0.939 . . . . 0.0 113.537 177.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.9 -28.13 15.23 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.126 0.97 . . . . 0.0 113.425 172.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -98.34 -22.05 16.3 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.874 1.27 . . . . 0.0 112.652 175.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.5 m -60.93 -29.28 69.52 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.488 1.115 . . . . 0.0 111.441 173.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp -80.06 -10.23 59.75 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.831 1.253 . . . . 0.0 113.169 170.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.8 m -94.27 -12.69 27.61 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.09 0.956 . . . . 0.0 110.725 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 30.0 mtm-85 -99.77 -52.77 3.36 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 176.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.86 -26.85 67.68 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 173.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.52 -5.24 14.24 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 172.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -102.28 12.57 36.46 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.523 0.729 . . . . 0.0 112.357 174.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -104.33 -54.13 2.59 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.223 179.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.407 ' HA ' ' HB ' ' A' ' 17' ' ' ILE . 1.9 m120 -57.91 -16.06 10.76 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 124.611 1.164 . . . . 0.0 112.765 172.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.62 -26.08 4.95 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.538 0.735 . . . . 0.0 112.471 171.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.71 -29.4 10.11 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.841 0.856 . . . . 0.0 112.93 175.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' A' ' 14' ' ' ASN . 14.7 mm -84.6 12.98 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 CA-C-O 122.685 1.231 . . . . 0.0 111.286 175.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.56 149.95 16.39 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.405 1.482 . . . . 0.0 110.261 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.78 68.9 0.71 Allowed 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 124.321 2.01 . . . . 0.0 110.146 -176.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--O 1.254 1.305 0 CA-C-N 112.067 -2.333 . . . . 0.0 111.741 179.814 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.0 p80 . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.84 -88.48 0.07 OUTLIER Glycine 0 N--CA 1.477 1.416 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.52 -177.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.599 ' O ' HG22 ' A' ' 6' ' ' THR . 0.5 OUTLIER -64.83 -32.48 74.19 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 176.068 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.495 ' O ' HD12 ' A' ' 7' ' ' LEU . . . -57.57 -20.28 31.21 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 172.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -101.94 -20.84 14.68 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.391 1.076 . . . . 0.0 112.275 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -59.85 -31.27 69.6 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.942 0.897 . . . . 0.0 111.781 174.394 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 4' ' ' ALA . 0.0 OUTLIER -75.35 -16.31 60.4 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.522 -1.217 . . . . 0.0 112.806 174.479 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.0 m -92.68 -12.44 31.48 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.698 1.199 . . . . 0.0 110.773 -177.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -104.72 -52.14 2.93 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.406 ' CZ3' ' HB3' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -55.72 -31.5 62.53 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 170.808 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.18 -2.48 10.52 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 173.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -109.08 13.43 24.57 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.3 1.04 . . . . 0.0 112.525 174.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -117.25 -68.14 0.94 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.798 0.839 . . . . 0.0 110.493 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.406 ' HB3' ' CZ3' ' A' ' 10' ' ' TRP . 3.9 p-10 -60.99 -12.81 12.65 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 114.946 -1.024 . . . . 0.0 112.379 172.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.17 -27.75 2.57 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.585 0.754 . . . . 0.0 112.782 174.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.61 -30.65 10.82 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 114.744 -1.116 . . . . 0.0 113.422 174.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.4 mt -82.43 9.87 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 124.419 1.088 . . . . 0.0 111.976 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.54 -48.79 3.36 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.853 0.861 . . . . 0.0 111.903 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 57.27 75.49 0.37 Allowed 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 123.651 1.691 . . . . 0.0 111.191 -175.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.7 t80 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 112.891 -1.959 . . . . 0.0 111.018 179.949 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 . . . . . 0 N--CA 1.485 1.289 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.46 -90.9 0.08 OUTLIER Glycine 0 N--CA 1.476 1.355 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.133 175.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.6 OUTLIER -62.81 -36.77 84.24 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 114.313 -0.943 . . . . 0.0 113.335 176.821 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.447 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -50.75 -28.35 9.02 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 172.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -89.94 -39.12 13.2 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.218 1.007 . . . . 0.0 112.105 177.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.6 p -58.07 -25.92 61.88 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 123.935 0.894 . . . . 0.0 113.229 172.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.54 7.25 46.79 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.558 1.143 . . . . 0.0 114.026 174.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.5 m -105.06 -13.79 15.62 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.412 1.485 . . . . 0.0 110.714 175.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.1 -56.1 2.46 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.076 0.55 . . . . 0.0 111.349 176.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.68 -29.38 59.26 Favored 'General case' 0 N--CA 1.483 1.211 0 O-C-N 121.294 -0.879 . . . . 0.0 113.318 172.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.544 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -68.97 -3.57 13.41 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 173.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.64 -24.08 25.44 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.843 0.857 . . . . 0.0 111.281 174.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CZ ' HG21 ' A' ' 17' ' ' ILE . 74.2 t80 -71.34 -76.08 0.11 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.852 1.261 . . . . 0.0 110.429 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -54.45 -22.74 13.52 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 124.31 1.006 . . . . 0.0 111.723 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -52.35 -42.13 63.65 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.921 0.489 . . . . 0.0 112.046 176.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tp -106.6 -29.1 9.83 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 114.759 -1.11 . . . . 0.0 112.031 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.553 HG21 ' CZ ' ' A' ' 13' ' ' TYR . 25.7 mm -84.76 17.03 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.304 0 CA-C-O 122.718 1.247 . . . . 0.0 110.588 175.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -56.38 147.8 20.51 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.593 -1.317 . . . . 0.0 110.989 176.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 54.91 62.25 2.6 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 113.423 -1.717 . . . . 0.0 110.182 -178.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 19.2 t80 . . . . . 0 C--O 1.253 1.243 0 CA-C-N 114.343 -1.298 . . . . 0.0 114.207 -177.163 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.6 m170 . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 122.744 1.259 . . . . 0.0 113.389 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.21 -86.5 0.07 OUTLIER Glycine 0 N--CA 1.479 1.531 0 CA-C-N 113.257 -1.792 . . . . 0.0 111.5 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.434 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -63.7 -35.63 81.19 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 176.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.409 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.05 -27.36 44.08 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.547 0.739 . . . . 0.0 112.559 174.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.3 t -85.39 -44.68 12.57 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.096 1.359 . . . . 0.0 111.718 175.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 p -55.87 -25.6 43.16 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 175.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -95.77 9.43 40.46 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.958 1.303 . . . . 0.0 113.952 174.061 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.4 m -105.48 -13.4 15.64 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.707 1.603 . . . . 0.0 110.676 174.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.65 -53.79 2.63 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.193 0.597 . . . . 0.0 112.577 176.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -59.69 -29.3 67.99 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 174.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.59 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -76.75 11.19 1.79 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 172.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -116.55 8.52 13.96 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.439 1.096 . . . . 0.0 112.423 170.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -110.33 -83.26 0.57 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.927 1.291 . . . . 0.0 110.868 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.474 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 3.1 t30 -65.45 -8.81 20.9 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.681 174.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -45.34 -31.78 1.77 Allowed 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 119.484 1.038 . . . . 0.0 113.729 169.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.0 -29.18 11.94 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.318 -0.855 . . . . 0.0 113.126 176.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.411 ' HB ' ' HA ' ' A' ' 14' ' ' ASN . 12.9 mm -84.03 10.95 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 CA-C-O 122.852 1.31 . . . . 0.0 111.394 175.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -91.82 139.51 30.6 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.952 1.301 . . . . 0.0 108.609 179.413 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -130.27 64.02 1.54 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 113.893 -1.503 . . . . 0.0 110.079 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.5 t80 . . . . . 0 C--O 1.251 1.139 0 CA-C-N 114.341 -1.3 . . . . 0.0 112.322 179.27 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 4.7 t60 . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.618 0.247 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.44 -91.1 0.08 OUTLIER Glycine 0 N--CA 1.478 1.472 0 O-C-N 124.166 0.916 . . . . 0.0 111.442 176.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 4' ' ' ALA . 0.6 OUTLIER -62.67 -33.71 75.62 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 176.623 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.414 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.9 -24.79 39.55 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.855 0.862 . . . . 0.0 112.726 173.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 t -90.87 -40.0 12.0 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.088 0.955 . . . . 0.0 111.884 175.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.0 p -57.87 -26.8 62.59 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 173.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 pp -88.41 -5.19 58.43 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 51.9 m -95.26 -13.19 25.08 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.153 1.381 . . . . 0.0 111.176 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -103.75 -50.01 3.52 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.516 ' CZ3' ' HB2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -60.61 -29.21 69.08 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 172.658 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.87 0.23 9.65 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 173.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.19 12.57 23.35 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.002 0.921 . . . . 0.0 112.385 174.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.77 -68.98 0.88 Allowed 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.905 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.516 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 62.0 t30 -60.44 -12.87 10.73 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 114.843 -1.071 . . . . 0.0 112.907 172.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -50.4 -27.31 6.15 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 172.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.18 -30.77 10.93 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.224 1.01 . . . . 0.0 113.483 174.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.2 mt -82.84 9.61 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 124.57 1.148 . . . . 0.0 111.732 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.491 ' HG3' ' ND2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -87.73 90.84 8.53 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.877 1.271 . . . . 0.0 110.574 -179.52 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -161.12 63.84 0.28 Allowed 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 112.639 -2.073 . . . . 0.0 111.314 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.251 0 CA-C-N 113.76 -1.563 . . . . 0.0 112.939 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 60.5 m170 . . . . . 0 N--CA 1.486 1.364 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 177.97 -87.55 0.07 OUTLIER Glycine 0 N--CA 1.477 1.386 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.156 176.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.427 HD23 ' H ' ' A' ' 3' ' ' LEU . 0.9 OUTLIER -64.4 -35.39 80.75 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 114.038 -1.081 . . . . 0.0 113.655 176.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.416 ' N ' ' HG ' ' A' ' 3' ' ' LEU . . . -55.13 -25.74 33.8 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.537 0.735 . . . . 0.0 112.574 174.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -91.36 -39.19 12.16 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.52 1.128 . . . . 0.0 111.805 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.1 p -58.29 -26.24 62.76 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.77 0.828 . . . . 0.0 113.227 172.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.14 9.35 39.94 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.478 1.111 . . . . 0.0 113.844 173.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.0 m -104.44 -11.31 17.13 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.737 1.215 . . . . 0.0 110.797 174.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 12' ' ' HIS . 51.8 mtp180 -107.77 -52.93 2.69 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 177.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.459 ' CZ3' ' HB2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -60.28 -28.87 68.42 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 173.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.587 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -76.62 10.67 2.02 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 173.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.446 ' HB3' ' O ' ' A' ' 9' ' ' ARG . 31.5 t60 -112.93 -8.65 13.68 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.629 1.572 . . . . 0.0 111.52 171.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.47 -75.28 0.55 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.615 1.166 . . . . 0.0 110.628 -177.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 10' ' ' TRP . 2.0 m120 -71.94 -9.28 58.13 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.545 -1.207 . . . . 0.0 113.562 174.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -46.79 -30.23 2.33 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 171.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -103.4 -29.0 11.48 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.844 1.054 . . . . 0.0 113.844 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.4 mt -82.82 10.3 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-O 122.53 1.157 . . . . 0.0 111.275 174.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.76 117.0 11.71 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.978 1.311 . . . . 0.0 109.746 178.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -148.13 -63.03 0.26 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 112.559 -2.11 . . . . 0.0 109.882 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 t80 . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 116.924 -1.512 . . . . 0.0 111.132 178.034 . . . . . . . . 0 0 . 1 stop_ save_