data_1egs_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 1egs _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 2' ' ' THR . . . . . . . . . . . . . 31.9 p . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 107.182 -1.414 . . . . 2.6200000000000001 107.182 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.274 9.5 mttp -109.64 166.43 10.91 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 125.826 1.65 . . . . 4.9299999999999997 110.258 -171.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.514 ' HG ' ' H ' ' A' ' 7' ' ' GLY . 60.3 p -81.84 167.66 18.79 Favored 'General case' 0 CA--C 1.569 1.689 0 C-N-CA 123.325 0.65 . . . . 3.3700000000000001 111.482 170.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.15 90.3 0.33 Allowed 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 122.083 0.944 . . . . 1.04 110.265 168.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.28 -79.53 0.35 Allowed Glycine 0 CA--C 1.539 1.564 0 CA-C-N 113.632 -1.622 . . . . 1.5 110.035 -151.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.514 ' H ' ' HG ' ' A' ' 4' ' ' SER . . . 131.26 75.27 0.13 Allowed Glycine 0 C--N 1.352 1.467 0 CA-C-O 117.829 -1.539 . . . . 1.3200000000000001 114.768 161.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.302 33.0 mm -101.15 59.79 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.45 0 CA-C-O 122.899 1.333 . . . . 2.1400000000000001 110.714 -163.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.355 4.0 p -28.89 81.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 C-N-CA 128.556 2.742 . . . . 2.2200000000000002 116.65 -154.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 CA--C 1.563 1.46 0 CA-C-N 109.179 -3.646 . . . . 1.9299999999999999 118.039 -159.515 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.495 1.781 0 N-CA-C 107.482 -1.303 . . . . 3.4399999999999999 107.482 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.309 0.7 OUTLIER -104.73 167.03 9.99 Favored 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 126.876 2.071 . . . . 6.1500000000000004 110.449 -170.564 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.479 ' HB3' ' H ' ' A' ' 8' ' ' ILE . 42.5 t -85.94 168.76 13.88 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.513 -0.767 . . . . 2.75 111.234 169.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.12 92.12 0.38 Allowed 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 122.061 0.934 . . . . 1.28 110.25 172.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.29 -79.42 0.37 Allowed Glycine 0 CA--C 1.539 1.555 0 CA-C-N 113.608 -1.633 . . . . 1.72 110.188 -152.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.36 73.12 0.06 OUTLIER Glycine 0 C--N 1.353 1.473 0 CA-C-O 118.2 -1.333 . . . . 1.3600000000000001 114.378 161.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.479 ' H ' ' HB3' ' A' ' 4' ' ' SER 0.272 31.7 mm -101.79 67.77 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.185 0 CA-C-O 122.403 1.096 . . . . 2.1200000000000001 108.529 -156.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.356 4.2 p -31.03 82.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 C-N-CA 128.102 2.561 . . . . 2.6800000000000002 116.845 -154.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.8 mt . . . . . 0 CA--C 1.541 0.62 0 CA-C-N 108.48 -3.964 . . . . 3.7400000000000002 116.85 -158.278 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.9 p . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 107.336 -1.357 . . . . 2.6499999999999999 107.336 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.314 8.2 pttm -69.39 165.73 20.18 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 115.315 1.598 . . . . 4.1699999999999999 115.315 -164.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.2 t -102.48 156.43 17.61 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 124.311 1.007 . . . . 2.6000000000000001 109.598 166.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.72 132.78 50.01 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 114.533 1.309 . . . . 0.77000000000000002 114.533 -170.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.14 40.55 9.16 Favored Glycine 0 CA--C 1.55 2.25 0 N-CA-C 118.217 2.047 . . . . 2.02 118.217 -169.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.37 52.54 21.47 Favored Glycine 0 C--N 1.352 1.469 0 N-CA-C 118.74 2.256 . . . . 1.8999999999999999 118.74 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.7 mm -114.0 80.21 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 103.085 -2.932 . . . . 2.52 103.085 -167.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.8 t -106.91 80.67 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 102.287 -3.227 . . . . 2.8599999999999999 102.287 -154.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 CA--C 1.56 1.335 0 CA-C-N 109.594 -3.457 . . . . 2.2200000000000002 117.146 -160.697 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.4 p . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 106.47 -1.678 . . . . 2.4399999999999999 106.47 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -87.28 168.04 13.55 Favored 'General case' 0 CA--C 1.575 1.918 0 C-N-CA 124.316 1.046 . . . . 3.6600000000000001 110.032 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.0 m -95.52 158.1 15.6 Favored 'General case' 0 CA--C 1.559 1.295 0 CA-C-N 114.039 -1.437 . . . . 2.8100000000000001 110.678 168.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.04 123.6 23.15 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.828 0.851 . . . . 0.79000000000000004 110.822 170.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.56 -82.13 0.31 Allowed Glycine 0 CA--C 1.536 1.394 0 N-CA-C 109.907 -1.277 . . . . 1.46 109.907 -156.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.75 74.05 0.02 OUTLIER Glycine 0 CA--C 1.536 1.389 0 N-CA-C 115.298 0.879 . . . . 1.27 115.298 158.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.443 ' CD1' ' H ' ' A' ' 8' ' ' ILE 0.275 1.1 mp -92.15 96.98 6.7 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 N-CA-C 102.21 -3.255 . . . . 2.96 102.21 175.762 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.313 6.2 p -90.41 75.16 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 CA-C-N 111.967 -2.379 . . . . 2.2200000000000002 109.62 -155.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 CA--C 1.559 1.298 0 CA-C-N 108.867 -3.788 . . . . 2.1600000000000001 117.305 -167.387 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.496 1.843 0 N-CA-C 106.493 -1.669 . . . . 2.8700000000000001 106.493 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.343 0.2 OUTLIER -70.23 169.47 13.62 Favored 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 115.577 1.695 . . . . 3.54 115.577 -164.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.1 p -75.09 172.02 13.09 Favored 'General case' 0 CA--C 1.569 1.694 0 C-N-CA 125.057 1.343 . . . . 3.6099999999999999 112.985 -178.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.15 113.73 10.54 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.86 0.864 . . . . 0.93000000000000005 109.529 165.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.95 -83.77 0.39 Allowed Glycine 0 N--CA 1.477 1.407 0 N-CA-C 109.297 -1.521 . . . . 1.52 109.297 -151.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.19 71.13 0.19 Allowed Glycine 0 C--N 1.351 1.406 0 N-CA-C 115.954 1.142 . . . . 1.3400000000000001 115.954 158.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.425 1.4 mp -84.93 25.99 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 116.407 2.003 . . . . 3.4100000000000001 116.407 -175.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.451 1.0 OUTLIER 46.21 77.0 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 C-N-CA 130.283 3.433 . . . . 1.99 112.264 162.426 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.444 ' CD1' ' H ' ' A' ' 10' ' ' LEU 0.305 3.2 mp . . . . . 0 CA--C 1.56 1.328 0 CA-C-N 109.245 -3.616 . . . . 2.6000000000000001 118.106 -169.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 p . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 107.433 -1.321 . . . . 2.8999999999999999 107.433 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.25 4.7 mtmm -124.22 166.64 15.5 Favored 'General case' 0 CA--C 1.574 1.874 0 C-N-CA 126.011 1.724 . . . . 4.5899999999999999 109.616 -170.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.478 ' HB3' ' H ' ' A' ' 8' ' ' ILE . 43.8 t -82.7 168.15 17.52 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.554 0.741 . . . . 2.8399999999999999 111.612 166.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.74 93.15 0.92 Allowed 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.945 0.898 . . . . 1.1299999999999999 109.748 170.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.88 -78.01 0.39 Allowed Glycine 0 CA--C 1.538 1.499 0 CA-C-N 113.712 -1.586 . . . . 1.6100000000000001 110.299 -150.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.73 69.53 0.1 Allowed Glycine 0 C--N 1.354 1.539 0 CA-C-O 117.751 -1.583 . . . . 1.4299999999999999 115.225 161.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.478 ' H ' ' HB3' ' A' ' 4' ' ' SER 0.324 36.4 mm -96.35 55.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.507 0 CA-C-O 123.23 1.491 . . . . 2.2400000000000002 111.538 -154.405 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.38 3.3 p -26.23 79.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 C-N-CA 128.303 2.641 . . . . 2.04 117.538 -149.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.475 ' CD1' ' H ' ' A' ' 10' ' ' LEU 0.308 2.6 mp . . . . . 0 CA--C 1.564 1.515 0 CA-C-N 108.451 -3.977 . . . . 2.6299999999999999 121.491 177.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.0 p . . . . . 0 N--CA 1.503 2.203 0 N-CA-C 106.235 -1.765 . . . . 2.3500000000000001 106.235 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -90.47 163.42 14.65 Favored 'General case' 0 CA--C 1.57 1.716 0 C-N-CA 124.509 1.124 . . . . 3.9900000000000002 109.002 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.8 m -130.54 157.13 43.53 Favored 'General case' 0 CA--C 1.563 1.471 0 C-N-CA 125.397 1.479 . . . . 3.8599999999999999 110.042 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.2 140.01 10.28 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 115.792 1.775 . . . . 1.1000000000000001 115.792 -167.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.04 1.53 79.86 Favored Glycine 0 CA--C 1.557 2.671 0 N-CA-C 118.877 2.311 . . . . 1.76 118.877 -160.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.86 69.68 1.37 Allowed Glycine 0 C--N 1.353 1.491 0 CA-C-N 119.665 1.733 . . . . 1.6399999999999999 115.507 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.0 mm -110.27 88.98 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 101.012 -3.699 . . . . 2.4900000000000002 101.012 -163.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.307 5.9 p -94.01 76.14 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 CA-C-N 112.839 -1.982 . . . . 2.52 108.636 -155.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 CA--C 1.544 0.719 0 CA-C-N 109.057 -3.701 . . . . 1.71 114.003 -165.388 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.9 p . . . . . 0 N--CA 1.495 1.786 0 N-CA-C 106.461 -1.681 . . . . 2.5 106.461 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -81.79 169.52 16.81 Favored 'General case' 0 CA--C 1.578 2.037 0 C-N-CA 124.557 1.143 . . . . 3.77 110.494 -177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.8 t -103.66 166.32 10.49 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.727 1.211 . . . . 2.3399999999999999 111.294 171.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.07 117.62 17.97 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 123.966 0.907 . . . . 0.72999999999999998 109.346 165.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.55 -82.92 0.62 Allowed Glycine 0 N--CA 1.478 1.444 0 N-CA-C 109.104 -1.599 . . . . 1.3799999999999999 109.104 -148.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.43 77.19 0.56 Allowed Glycine 0 C--N 1.352 1.448 0 CA-C-O 118.855 -0.969 . . . . 1.4199999999999999 114.656 158.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.35 1.1 mp -86.88 66.41 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-O 122.916 1.341 . . . . 2.8999999999999999 109.575 -169.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.351 0.9 OUTLIER -42.92 88.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 C-N-CA 128.678 2.791 . . . . 2.1099999999999999 112.822 -146.724 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 CA--C 1.547 0.828 1 CA-C-N 108.151 -4.113 . . . . 2.0099999999999998 114.786 -165.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.499 1.996 0 N-CA-C 106.682 -1.599 . . . . 5.29 106.682 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.443 ' HG3' ' H ' ' A' ' 4' ' ' SER . 0.5 OUTLIER -72.06 -166.28 0.22 Allowed 'General case' 0 CA--C 1.588 2.439 0 CA-C-O 121.547 0.689 . . . . 13.199999999999999 109.771 169.814 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.443 ' H ' ' HG3' ' A' ' 3' ' ' LYS . 10.2 m 42.4 144.66 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.343 0 N-CA-C 120.287 3.44 . . . . 3.27 120.287 129.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.16 88.93 7.79 Favored 'General case' 0 CA--C 1.567 1.613 0 N-CA-C 108.755 -0.832 . . . . 1.1799999999999999 108.755 137.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.09 81.05 1.31 Allowed Glycine 0 N--CA 1.484 1.841 0 CA-C-O 119.035 -0.87 . . . . 3.1000000000000001 113.946 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.32 -66.96 0.04 OUTLIER Glycine 0 CA--C 1.545 1.921 0 CA-C-O 116.673 -2.181 . . . . 3.3799999999999999 111.449 -176.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.381 10.5 tp -128.42 159.09 40.31 Favored 'Isoleucine or valine' 0 C--N 1.371 1.53 1 CA-C-N 126.66 5.23 . . . . 8.5500000000000007 111.176 -21.433 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.427 2.8 p 41.55 68.11 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.789 1 CA-C-N 108.326 -4.034 . . . . 4.96 116.589 -170.074 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.7 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 110.096 -3.229 . . . . 6.8399999999999999 113.599 -160.083 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 107.206 -1.405 . . . . 2.5299999999999998 107.206 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -117.12 169.29 9.55 Favored 'General case' 0 CA--C 1.574 1.875 0 C-N-CA 125.703 1.601 . . . . 5.2300000000000004 108.775 -173.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.471 ' HB2' ' H ' ' A' ' 8' ' ' ILE . 73.0 m -82.36 166.32 19.55 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 123.32 0.648 . . . . 2.52 112.018 172.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.4 94.34 1.62 Allowed 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 123.926 0.89 . . . . 0.92000000000000004 109.433 170.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.57 -77.23 0.39 Allowed Glycine 0 CA--C 1.538 1.521 0 CA-C-N 113.785 -1.552 . . . . 1.51 110.378 -149.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.44 77.41 0.26 Allowed Glycine 0 C--N 1.353 1.491 0 CA-C-O 117.764 -1.575 . . . . 1.3400000000000001 113.512 162.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.471 ' H ' ' HB2' ' A' ' 4' ' ' SER 0.324 40.8 mm -101.85 53.83 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.505 0 CA-C-O 123.061 1.41 . . . . 2.1899999999999999 111.971 -159.144 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.359 4.3 p -31.65 81.47 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 C-N-CA 127.97 2.508 . . . . 2.2999999999999998 117.131 -148.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.358 1.3 mp . . . . . 0 CA--C 1.551 0.998 0 CA-C-N 108.45 -3.977 . . . . 2.1800000000000002 118.226 171.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.3 p . . . . . 0 N--CA 1.511 2.602 0 CA-C-O 118.625 -0.702 . . . . 2.3900000000000001 110.647 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -88.52 170.15 11.13 Favored 'General case' 0 CA--C 1.573 1.846 0 O-C-N 124.605 1.19 . . . . 3.9500000000000002 110.084 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.6 t -103.95 167.22 9.91 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.58 1.152 . . . . 2.4199999999999999 111.306 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.42 116.18 15.87 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.02 0.928 . . . . 0.88 109.409 170.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 95.75 -80.98 0.81 Allowed Glycine 0 N--CA 1.478 1.471 0 N-CA-C 109.81 -1.316 . . . . 1.4299999999999999 109.81 -148.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.26 74.27 0.39 Allowed Glycine 0 C--N 1.352 1.455 0 CA-C-O 118.301 -1.277 . . . . 1.4099999999999999 115.964 160.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.385 1.2 mp -86.21 55.09 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 CA-C-O 123.317 1.532 . . . . 3.0800000000000001 112.358 -167.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.37 3.7 p -27.48 78.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 C-N-CA 128.308 2.643 . . . . 1.8799999999999999 117.45 -147.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.457 ' CD1' ' H ' ' A' ' 10' ' ' LEU 0.319 1.9 mp . . . . . 0 CA--C 1.563 1.467 1 CA-C-N 108.201 -4.09 . . . . 2.5499999999999998 121.702 176.214 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 p . . . . . 0 N--CA 1.503 2.218 0 N-CA-C 107.084 -1.45 . . . . 2.1600000000000001 107.084 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.313 0.0 OUTLIER -71.5 164.85 25.04 Favored 'General case' 0 CA--C 1.569 1.706 0 N-CA-C 114.87 1.433 . . . . 4.9500000000000002 114.87 -165.191 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.0 m -108.41 157.95 17.95 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 114.413 -1.267 . . . . 3.8799999999999999 110.182 173.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.43 139.36 15.58 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 115.458 1.651 . . . . 0.90000000000000002 115.458 -170.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.22 0.86 84.73 Favored Glycine 0 CA--C 1.557 2.677 0 N-CA-C 119.107 2.403 . . . . 1.8500000000000001 119.107 -161.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.63 50.1 5.81 Favored Glycine 0 CA--C 1.541 1.676 0 CA-C-N 119.752 1.776 . . . . 1.54 116.7 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.33 1.1 mp -88.31 80.64 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.322 0 N-CA-C 105.991 -1.855 . . . . 2.8199999999999998 105.991 -176.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.282 8.9 p -118.66 55.4 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 CA-C-N 111.904 -2.407 . . . . 2.25 111.664 -152.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.295 0.7 OUTLIER . . . . . 0 CA--C 1.557 1.226 0 N-CA-C 120.703 3.594 . . . . 2.4700000000000002 120.703 129.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.2 p . . . . . 0 N--CA 1.503 2.175 0 N-CA-C 107.093 -1.447 . . . . 2.4500000000000002 107.093 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.267 20.8 mttt -114.61 166.95 11.18 Favored 'General case' 0 CA--C 1.571 1.781 0 C-N-CA 126.022 1.729 . . . . 4.6299999999999999 109.767 -171.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.491 ' HB2' ' H ' ' A' ' 8' ' ' ILE . 66.6 m -79.06 167.43 21.08 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 123.437 0.695 . . . . 2.6299999999999999 112.03 170.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.07 92.14 0.52 Allowed 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 122.036 0.922 . . . . 1.1200000000000001 110.055 171.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.8 -78.87 0.38 Allowed Glycine 0 CA--C 1.538 1.515 0 CA-C-N 113.697 -1.592 . . . . 1.6299999999999999 110.204 -151.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.52 73.43 0.08 OUTLIER Glycine 0 C--N 1.353 1.498 0 CA-C-O 118.05 -1.416 . . . . 1.3700000000000001 114.371 161.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.491 ' H ' ' HB2' ' A' ' 4' ' ' SER 0.31 31.3 mm -96.33 60.85 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 CA-C-O 122.757 1.265 . . . . 2.0600000000000001 110.053 -159.204 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.349 4.0 p -32.82 82.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 128.362 2.665 . . . . 2.0699999999999998 116.143 -152.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 CA--C 1.563 1.444 0 CA-C-N 109.18 -3.645 . . . . 2.0099999999999998 118.28 -158.576 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.4 p . . . . . 0 N--CA 1.496 1.846 0 N-CA-C 107.167 -1.42 . . . . 2.1000000000000001 107.167 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -76.03 158.66 31.62 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 123.388 1.566 . . . . 4.0 111.881 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.3 t -93.19 165.99 12.54 Favored 'General case' 0 CA--C 1.564 1.511 0 CA-C-N 110.357 -3.11 . . . . 2.6899999999999999 111.996 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.63 117.75 19.35 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.051 0.94 . . . . 0.73999999999999999 109.105 165.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.07 -82.21 0.65 Allowed Glycine 0 N--CA 1.476 1.364 0 N-CA-C 109.178 -1.569 . . . . 1.3700000000000001 109.178 -147.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.82 76.24 0.55 Allowed Glycine 0 C--N 1.352 1.437 0 CA-C-O 118.452 -1.193 . . . . 1.4199999999999999 114.882 158.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.357 1.1 mp -86.05 64.06 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.834 0 CA-C-O 122.903 1.335 . . . . 2.8999999999999999 110.411 -168.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.334 4.3 p -42.64 86.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 127.303 2.241 . . . . 1.8600000000000001 115.229 -145.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 CA--C 1.562 1.438 0 CA-C-N 108.495 -3.957 . . . . 1.6299999999999999 118.599 -164.799 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.6 p . . . . . 0 N--CA 1.503 2.185 0 N-CA-C 106.953 -1.499 . . . . 2.0499999999999998 106.953 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.318 6.5 ptmt -70.34 166.4 20.3 Favored 'General case' 0 CA--C 1.572 1.796 0 C-N-CA 125.634 1.574 . . . . 3.8500000000000001 114.887 -165.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.1 m -126.15 158.41 35.62 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 125.126 1.37 . . . . 3.6699999999999999 109.765 177.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.47 135.24 34.04 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 115.005 1.483 . . . . 1.0600000000000001 115.005 -170.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.82 28.07 43.78 Favored Glycine 0 CA--C 1.553 2.407 0 N-CA-C 118.814 2.286 . . . . 2.1200000000000001 118.814 -166.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.32 57.37 7.56 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 118.433 2.133 . . . . 1.75 118.433 174.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.1 mm -108.17 77.68 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 103.233 -2.877 . . . . 2.9100000000000001 103.233 -166.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.297 3.7 p -119.72 52.07 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 CA-C-O 124.277 1.989 . . . . 2.3100000000000001 112.643 -146.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.3 0.7 OUTLIER . . . . . 0 CA--C 1.557 1.228 0 N-CA-C 120.586 3.55 . . . . 2.3900000000000001 120.586 132.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 N--CA 1.503 2.187 0 N-CA-C 106.197 -1.779 . . . . 2.79 106.197 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -84.42 169.36 14.64 Favored 'General case' 0 CA--C 1.571 1.783 0 C-N-CA 124.535 1.134 . . . . 3.8500000000000001 110.48 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.03 170.37 10.4 Favored 'General case' 0 CA--C 1.569 1.707 0 C-N-CA 123.625 0.77 . . . . 3.1400000000000001 109.485 170.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.84 78.3 1.6 Allowed 'General case' 0 CA--C 1.571 1.771 0 CA-C-O 122.22 1.01 . . . . 1.53 111.408 168.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.67 64.92 1.77 Allowed Glycine 0 CA--C 1.563 3.035 0 CA-C-O 115.308 -2.94 . . . . 2.79 112.158 -171.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.89 82.04 0.04 OUTLIER Glycine 0 C--N 1.363 2.033 2 CA-C-N 129.374 6.587 . . . . 2.0699999999999998 111.678 -5.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.297 45.6 mm -98.13 54.3 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.341 0 CA-C-O 123.41 1.576 . . . . 2.1600000000000001 111.776 -138.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.368 3.6 p -32.16 81.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 116.729 2.122 . . . . 2.1800000000000002 116.729 -141.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 CA--C 1.545 0.764 0 CA-C-N 109.387 -3.551 . . . . 1.99 114.17 -158.67 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 N--CA 1.496 1.846 0 N-CA-C 107.198 -1.408 . . . . 2.04 107.198 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -68.19 158.89 32.22 Favored 'General case' 0 CA--C 1.566 1.568 0 C-N-CA 125.116 1.366 . . . . 4.8200000000000003 113.945 -174.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.2 t -109.83 154.86 22.4 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 111.644 -2.526 . . . . 2.5600000000000001 109.37 160.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.77 132.69 41.77 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 115.368 1.618 . . . . 0.77000000000000002 115.368 -165.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.58 43.2 12.52 Favored Glycine 0 CA--C 1.547 2.068 0 N-CA-C 118.177 2.031 . . . . 1.96 118.177 -172.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.16 58.64 7.79 Favored Glycine 0 C--N 1.354 1.568 0 N-CA-C 118.577 2.191 . . . . 1.8700000000000001 118.577 173.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.2 mm -111.51 78.49 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 N-CA-C 101.671 -3.455 . . . . 2.5299999999999998 101.671 -176.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.9 t -102.41 78.85 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 102.752 -3.055 . . . . 2.5699999999999998 102.752 -151.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 CA--C 1.56 1.346 0 CA-C-N 109.994 -3.276 . . . . 1.8 117.362 -162.564 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 CA--C 1.571 1.783 0 N-CA-C 107.463 -1.31 . . . . 3.3700000000000001 107.463 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -69.12 158.37 35.01 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 125.619 1.567 . . . . 3.7200000000000002 114.112 -167.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.7 t -118.91 154.67 32.59 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 111.337 -2.665 . . . . 2.9100000000000001 110.28 172.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.71 138.23 14.72 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 116.032 1.864 . . . . 1.04 116.032 -164.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.69 24.29 70.41 Favored Glycine 0 CA--C 1.553 2.432 0 N-CA-C 118.885 2.314 . . . . 1.95 118.885 -167.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.23 64.82 2.93 Favored Glycine 0 C--N 1.354 1.555 0 N-CA-C 117.667 1.827 . . . . 1.6899999999999999 117.667 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.6 mm -99.01 73.38 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.206 0 N-CA-C 103.447 -2.797 . . . . 3.0299999999999998 103.447 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.31 5.3 p -119.11 52.34 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 CA-C-O 124.343 2.02 . . . . 2.6800000000000002 112.087 -140.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.309 0.8 OUTLIER . . . . . 0 CA--C 1.556 1.21 0 N-CA-C 120.402 3.482 . . . . 2.6899999999999999 120.402 133.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.5 p . . . . . 0 N--CA 1.496 1.846 0 N-CA-C 107.353 -1.351 . . . . 2.0499999999999998 107.353 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.322 4.2 ptmt -70.3 166.63 19.76 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 115.159 1.54 . . . . 3.9900000000000002 115.159 -165.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.0 m -116.74 152.98 33.2 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 114.512 -1.222 . . . . 3.1600000000000001 110.141 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.47 138.46 55.06 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.529 1.307 . . . . 0.87 114.529 -173.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.15 -84.29 0.49 Allowed Glycine 0 N--CA 1.478 1.439 0 N-CA-C 109.524 -1.43 . . . . 1.5900000000000001 109.524 -162.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.88 65.8 0.02 OUTLIER Glycine 0 CA--C 1.537 1.442 0 N-CA-C 115.957 1.143 . . . . 1.4399999999999999 115.957 156.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.425 ' CD1' ' H ' ' A' ' 8' ' ' ILE 0.293 1.1 mp -90.68 88.96 2.94 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.395 0 N-CA-C 104.074 -2.565 . . . . 2.8900000000000001 104.074 179.711 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.299 5.7 p -97.72 75.8 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-N 111.443 -2.617 . . . . 2.1299999999999999 108.078 -156.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 CA--C 1.561 1.37 0 CA-C-N 109.119 -3.673 . . . . 1.96 117.669 -163.032 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.5 p . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 107.32 -1.363 . . . . 2.3100000000000001 107.32 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.31 23.9 pttt -69.82 165.21 21.99 Favored 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 115.209 1.559 . . . . 3.9300000000000002 115.209 -165.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.9 t -96.69 151.22 19.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 124.302 1.001 . . . . 2.7799999999999998 109.62 166.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.32 130.95 46.73 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.507 1.123 . . . . 1.0600000000000001 113.632 -175.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.2 -93.59 0.81 Allowed Glycine 0 C--N 1.345 1.077 0 N-CA-C 107.736 -2.145 . . . . 1.5 107.736 -159.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.44 -92.08 0.19 Allowed Glycine 0 C--N 1.35 1.328 0 N-CA-C 110.55 -1.02 . . . . 2.3599999999999999 110.55 -177.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.505 ' CD1' ' H ' ' A' ' 8' ' ' ILE 0.418 1.3 mp 38.71 70.56 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 C-N-CA 128.822 2.849 . . . . 3.2599999999999998 113.351 175.527 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.299 4.7 p -107.11 74.6 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 112.253 -2.249 . . . . 2.6200000000000001 108.957 -149.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 CA--C 1.543 0.704 0 CA-C-N 108.979 -3.737 . . . . 2.2799999999999998 113.756 -161.037 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.274 . . . . . . . . 4.0599999999999996 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.9 p -95.86 129.04 43.22 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 125.686 1.866 . . . . 2.6200000000000001 107.182 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.274 9.5 mttp -109.64 166.43 10.91 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 125.826 1.65 . . . . 4.9299999999999997 110.258 -171.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.514 ' HG ' ' H ' ' A' ' 7' ' ' GLY . 60.3 p -81.84 167.66 18.79 Favored 'General case' 0 CA--C 1.569 1.689 0 C-N-CA 123.325 0.65 . . . . 3.3700000000000001 111.482 170.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.15 90.3 0.33 Allowed 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 122.083 0.944 . . . . 1.04 110.265 168.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.28 -79.53 0.35 Allowed Glycine 0 CA--C 1.539 1.564 0 CA-C-N 113.632 -1.622 . . . . 1.5 110.035 -151.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.514 ' H ' ' HG ' ' A' ' 4' ' ' SER . . . 131.26 75.27 0.13 Allowed Glycine 0 C--N 1.352 1.467 0 CA-C-O 117.829 -1.539 . . . . 1.3200000000000001 114.768 161.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.302 33.0 mm -101.15 59.79 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.45 0 CA-C-O 122.899 1.333 . . . . 2.1400000000000001 110.714 -163.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.355 4.0 p -28.89 81.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 C-N-CA 128.556 2.742 . . . . 2.2200000000000002 116.65 -154.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.82 -43.47 96.13 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-N 109.179 -3.646 . . . . 1.9299999999999999 118.039 -159.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.09 0 O-C-N 118.96 -2.337 . . . . 2.4700000000000002 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.321 . . . . . . . . 3.3900000000000001 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 m -134.05 155.77 49.42 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 125.637 1.836 . . . . 3.4399999999999999 107.482 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.309 0.7 OUTLIER -104.73 167.03 9.99 Favored 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 126.876 2.071 . . . . 6.1500000000000004 110.449 -170.564 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.479 ' HB3' ' H ' ' A' ' 8' ' ' ILE . 42.5 t -85.94 168.76 13.88 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.513 -0.767 . . . . 2.75 111.234 169.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.12 92.12 0.38 Allowed 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 122.061 0.934 . . . . 1.28 110.25 172.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.29 -79.42 0.37 Allowed Glycine 0 CA--C 1.539 1.555 0 CA-C-N 113.608 -1.633 . . . . 1.72 110.188 -152.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.36 73.12 0.06 OUTLIER Glycine 0 C--N 1.353 1.473 0 CA-C-O 118.2 -1.333 . . . . 1.3600000000000001 114.378 161.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.479 ' H ' ' HB3' ' A' ' 4' ' ' SER 0.272 31.7 mm -101.79 67.77 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.185 0 CA-C-O 122.403 1.096 . . . . 2.1200000000000001 108.529 -156.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.356 4.2 p -31.03 82.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 C-N-CA 128.102 2.561 . . . . 2.6800000000000002 116.845 -154.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.8 mt -66.23 118.85 10.53 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 108.48 -3.964 . . . . 3.7400000000000002 116.85 -158.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 O-C-N 121.317 -0.865 . . . . 3.4300000000000002 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.305 . . . . . . . . 3.1800000000000002 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.9 p -95.49 131.34 41.76 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 125.712 1.883 . . . . 2.6499999999999999 107.336 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.314 8.2 pttm -69.39 165.73 20.18 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 115.315 1.598 . . . . 4.1699999999999999 115.315 -164.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.2 t -102.48 156.43 17.61 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 124.311 1.007 . . . . 2.6000000000000001 109.598 166.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.72 132.78 50.01 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 114.533 1.309 . . . . 0.77000000000000002 114.533 -170.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.14 40.55 9.16 Favored Glycine 0 CA--C 1.55 2.25 0 N-CA-C 118.217 2.047 . . . . 2.02 118.217 -169.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.37 52.54 21.47 Favored Glycine 0 C--N 1.352 1.469 0 N-CA-C 118.74 2.256 . . . . 1.8999999999999999 118.74 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.7 mm -114.0 80.21 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 103.085 -2.932 . . . . 2.52 103.085 -167.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.8 t -106.91 80.67 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 102.287 -3.227 . . . . 2.8599999999999999 102.287 -154.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.11 -45.71 63.11 Favored 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 109.594 -3.457 . . . . 2.2200000000000002 117.146 -160.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.042 0 O-C-N 118.831 -2.418 . . . . 2.1499999999999999 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.318 . . . . . . . . 2.8900000000000001 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.4 p -97.2 123.79 41.09 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 125.654 1.846 . . . . 2.4399999999999999 106.47 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -87.28 168.04 13.55 Favored 'General case' 0 CA--C 1.575 1.918 0 C-N-CA 124.316 1.046 . . . . 3.6600000000000001 110.032 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.0 m -95.52 158.1 15.6 Favored 'General case' 0 CA--C 1.559 1.295 0 CA-C-N 114.039 -1.437 . . . . 2.8100000000000001 110.678 168.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.04 123.6 23.15 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.828 0.851 . . . . 0.79000000000000004 110.822 170.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.56 -82.13 0.31 Allowed Glycine 0 CA--C 1.536 1.394 0 N-CA-C 109.907 -1.277 . . . . 1.46 109.907 -156.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.75 74.05 0.02 OUTLIER Glycine 0 CA--C 1.536 1.389 0 N-CA-C 115.298 0.879 . . . . 1.27 115.298 158.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.443 ' CD1' ' H ' ' A' ' 8' ' ' ILE 0.275 1.1 mp -92.15 96.98 6.7 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 N-CA-C 102.21 -3.255 . . . . 2.96 102.21 175.762 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.313 6.2 p -90.41 75.16 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 CA-C-N 111.967 -2.379 . . . . 2.2200000000000002 109.62 -155.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.32 -45.64 65.8 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 108.867 -3.788 . . . . 2.1600000000000001 117.305 -167.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.036 0 O-C-N 118.794 -2.441 . . . . 2.9199999999999999 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.337 . . . . . . . . 3.4700000000000002 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.8 p -145.93 130.92 18.24 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 125.706 1.879 . . . . 2.8700000000000001 106.493 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.343 0.2 OUTLIER -70.23 169.47 13.62 Favored 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 115.577 1.695 . . . . 3.54 115.577 -164.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.1 p -75.09 172.02 13.09 Favored 'General case' 0 CA--C 1.569 1.694 0 C-N-CA 125.057 1.343 . . . . 3.6099999999999999 112.985 -178.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.15 113.73 10.54 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.86 0.864 . . . . 0.93000000000000005 109.529 165.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.95 -83.77 0.39 Allowed Glycine 0 N--CA 1.477 1.407 0 N-CA-C 109.297 -1.521 . . . . 1.52 109.297 -151.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.19 71.13 0.19 Allowed Glycine 0 C--N 1.351 1.406 0 N-CA-C 115.954 1.142 . . . . 1.3400000000000001 115.954 158.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.425 1.4 mp -84.93 25.99 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 116.407 2.003 . . . . 3.4100000000000001 116.407 -175.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.451 1.0 OUTLIER 46.21 77.0 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 C-N-CA 130.283 3.433 . . . . 1.99 112.264 162.426 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.444 ' CD1' ' H ' ' A' ' 10' ' ' LEU 0.305 3.2 mp -69.5 -44.24 71.5 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-N 109.245 -3.616 . . . . 2.6000000000000001 118.106 -169.493 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.046 0 O-C-N 118.841 -2.412 . . . . 2.6099999999999999 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.304 . . . . . . . . 4.8300000000000001 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 p -95.19 130.79 41.79 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 125.683 1.864 . . . . 2.8999999999999999 107.433 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.25 4.7 mtmm -124.22 166.64 15.5 Favored 'General case' 0 CA--C 1.574 1.874 0 C-N-CA 126.011 1.724 . . . . 4.5899999999999999 109.616 -170.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.478 ' HB3' ' H ' ' A' ' 8' ' ' ILE . 43.8 t -82.7 168.15 17.52 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.554 0.741 . . . . 2.8399999999999999 111.612 166.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.74 93.15 0.92 Allowed 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.945 0.898 . . . . 1.1299999999999999 109.748 170.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.88 -78.01 0.39 Allowed Glycine 0 CA--C 1.538 1.499 0 CA-C-N 113.712 -1.586 . . . . 1.6100000000000001 110.299 -150.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.73 69.53 0.1 Allowed Glycine 0 C--N 1.354 1.539 0 CA-C-O 117.751 -1.583 . . . . 1.4299999999999999 115.225 161.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.478 ' H ' ' HB3' ' A' ' 4' ' ' SER 0.324 36.4 mm -96.35 55.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.507 0 CA-C-O 123.23 1.491 . . . . 2.2400000000000002 111.538 -154.405 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.38 3.3 p -26.23 79.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 C-N-CA 128.303 2.641 . . . . 2.04 117.538 -149.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.475 ' CD1' ' H ' ' A' ' 10' ' ' LEU 0.308 2.6 mp -33.47 -35.9 0.03 OUTLIER 'General case' 0 CA--C 1.564 1.515 0 CA-C-N 108.451 -3.977 . . . . 2.6299999999999999 121.491 177.063 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.175 0 O-C-N 119.321 -2.112 . . . . 2.3100000000000001 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.022 . . . . . . . . 3.77 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.0 p -92.34 123.23 35.51 Favored 'General case' 0 N--CA 1.503 2.203 1 O-C-N 115.729 -4.357 . . . . 2.3500000000000001 106.235 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -90.47 163.42 14.65 Favored 'General case' 0 CA--C 1.57 1.716 0 C-N-CA 124.509 1.124 . . . . 3.9900000000000002 109.002 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.8 m -130.54 157.13 43.53 Favored 'General case' 0 CA--C 1.563 1.471 0 C-N-CA 125.397 1.479 . . . . 3.8599999999999999 110.042 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.2 140.01 10.28 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 115.792 1.775 . . . . 1.1000000000000001 115.792 -167.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.04 1.53 79.86 Favored Glycine 0 CA--C 1.557 2.671 0 N-CA-C 118.877 2.311 . . . . 1.76 118.877 -160.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.86 69.68 1.37 Allowed Glycine 0 C--N 1.353 1.491 0 CA-C-N 119.665 1.733 . . . . 1.6399999999999999 115.507 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.0 mm -110.27 88.98 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 101.012 -3.699 . . . . 2.4900000000000002 101.012 -163.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.307 5.9 p -94.01 76.14 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 CA-C-N 112.839 -1.982 . . . . 2.52 108.636 -155.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mt -74.79 142.42 44.25 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 109.057 -3.701 . . . . 1.71 114.003 -165.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 O-C-N 120.738 -1.227 . . . . 3.1400000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.342 . . . . . . . . 2.8300000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.9 p -97.25 123.91 41.19 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 125.685 1.866 . . . . 2.5 106.461 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -81.79 169.52 16.81 Favored 'General case' 0 CA--C 1.578 2.037 0 C-N-CA 124.557 1.143 . . . . 3.77 110.494 -177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.8 t -103.66 166.32 10.49 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.727 1.211 . . . . 2.3399999999999999 111.294 171.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.07 117.62 17.97 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 123.966 0.907 . . . . 0.72999999999999998 109.346 165.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.55 -82.92 0.62 Allowed Glycine 0 N--CA 1.478 1.444 0 N-CA-C 109.104 -1.599 . . . . 1.3799999999999999 109.104 -148.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.43 77.19 0.56 Allowed Glycine 0 C--N 1.352 1.448 0 CA-C-O 118.855 -0.969 . . . . 1.4199999999999999 114.656 158.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.35 1.1 mp -86.88 66.41 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-O 122.916 1.341 . . . . 2.8999999999999999 109.575 -169.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.351 0.9 OUTLIER -42.92 88.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 C-N-CA 128.678 2.791 . . . . 2.1099999999999999 112.822 -146.724 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt -66.33 143.19 57.32 Favored 'General case' 0 CA--C 1.547 0.828 1 CA-C-N 108.151 -4.113 . . . . 2.0099999999999998 114.786 -165.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 120.839 -1.163 . . . . 2.5099999999999998 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.338 . . . . . . . . 3.8500000000000001 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.5 p -155.66 133.29 11.12 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 125.532 1.77 . . . . 5.29 106.682 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.443 ' HG3' ' H ' ' A' ' 4' ' ' SER . 0.5 OUTLIER -72.06 -166.28 0.22 Allowed 'General case' 0 CA--C 1.588 2.439 0 CA-C-O 121.547 0.689 . . . . 13.199999999999999 109.771 169.814 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.443 ' H ' ' HG3' ' A' ' 3' ' ' LYS . 10.2 m 42.4 144.66 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.343 0 N-CA-C 120.287 3.44 . . . . 3.27 120.287 129.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.16 88.93 7.79 Favored 'General case' 0 CA--C 1.567 1.613 0 N-CA-C 108.755 -0.832 . . . . 1.1799999999999999 108.755 137.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.09 81.05 1.31 Allowed Glycine 0 N--CA 1.484 1.841 0 CA-C-O 119.035 -0.87 . . . . 3.1000000000000001 113.946 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.32 -66.96 0.04 OUTLIER Glycine 0 CA--C 1.545 1.921 0 CA-C-O 116.673 -2.181 . . . . 3.3799999999999999 111.449 -176.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.381 10.5 tp -128.42 159.09 40.31 Favored 'Isoleucine or valine' 0 C--N 1.371 1.53 1 CA-C-N 126.66 5.23 . . . . 8.5500000000000007 111.176 -21.433 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.427 2.8 p 41.55 68.11 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.789 1 CA-C-N 108.326 -4.034 . . . . 4.96 116.589 -170.074 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.7 mt -93.32 113.45 25.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 110.096 -3.229 . . . . 6.8399999999999999 113.599 -160.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.607 0 O-C-N 121.26 -0.9 . . . . 3.9300000000000002 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.348 . . . . . . . . 4.0899999999999999 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.8 p -95.61 128.93 42.89 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 125.718 1.886 . . . . 2.5299999999999998 107.206 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -117.12 169.29 9.55 Favored 'General case' 0 CA--C 1.574 1.875 0 C-N-CA 125.703 1.601 . . . . 5.2300000000000004 108.775 -173.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.471 ' HB2' ' H ' ' A' ' 8' ' ' ILE . 73.0 m -82.36 166.32 19.55 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 123.32 0.648 . . . . 2.52 112.018 172.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.4 94.34 1.62 Allowed 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 123.926 0.89 . . . . 0.92000000000000004 109.433 170.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.57 -77.23 0.39 Allowed Glycine 0 CA--C 1.538 1.521 0 CA-C-N 113.785 -1.552 . . . . 1.51 110.378 -149.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.44 77.41 0.26 Allowed Glycine 0 C--N 1.353 1.491 0 CA-C-O 117.764 -1.575 . . . . 1.3400000000000001 113.512 162.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.471 ' H ' ' HB2' ' A' ' 4' ' ' SER 0.324 40.8 mm -101.85 53.83 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.505 0 CA-C-O 123.061 1.41 . . . . 2.1899999999999999 111.971 -159.144 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.359 4.3 p -31.65 81.47 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 C-N-CA 127.97 2.508 . . . . 2.2999999999999998 117.131 -148.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.358 1.3 mp -38.49 152.93 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 108.45 -3.977 . . . . 2.1800000000000002 118.226 171.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 O-C-N 120.996 -1.065 . . . . 3.3100000000000001 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 . . . . . . . . 3.5800000000000001 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.3 p 62.16 126.53 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.602 0 C-N-CA 126.859 2.064 . . . . 2.3900000000000001 110.647 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -88.52 170.15 11.13 Favored 'General case' 0 CA--C 1.573 1.846 0 O-C-N 124.605 1.19 . . . . 3.9500000000000002 110.084 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.6 t -103.95 167.22 9.91 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.58 1.152 . . . . 2.4199999999999999 111.306 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.42 116.18 15.87 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.02 0.928 . . . . 0.88 109.409 170.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 95.75 -80.98 0.81 Allowed Glycine 0 N--CA 1.478 1.471 0 N-CA-C 109.81 -1.316 . . . . 1.4299999999999999 109.81 -148.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.26 74.27 0.39 Allowed Glycine 0 C--N 1.352 1.455 0 CA-C-O 118.301 -1.277 . . . . 1.4099999999999999 115.964 160.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.385 1.2 mp -86.21 55.09 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 CA-C-O 123.317 1.532 . . . . 3.0800000000000001 112.358 -167.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.37 3.7 p -27.48 78.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 C-N-CA 128.308 2.643 . . . . 1.8799999999999999 117.45 -147.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.457 ' CD1' ' H ' ' A' ' 10' ' ' LEU 0.319 1.9 mp -30.92 -35.28 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.467 1 CA-C-N 108.201 -4.09 . . . . 2.5499999999999998 121.702 176.214 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.185 0 O-C-N 119.325 -2.109 . . . . 2.7799999999999998 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 . . . . . . . . 3.6899999999999999 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 p -90.63 130.94 36.59 Favored 'General case' 0 N--CA 1.503 2.218 1 O-C-N 115.721 -4.362 . . . . 2.1600000000000001 107.084 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.313 0.0 OUTLIER -71.5 164.85 25.04 Favored 'General case' 0 CA--C 1.569 1.706 0 N-CA-C 114.87 1.433 . . . . 4.9500000000000002 114.87 -165.191 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.0 m -108.41 157.95 17.95 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 114.413 -1.267 . . . . 3.8799999999999999 110.182 173.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.43 139.36 15.58 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 115.458 1.651 . . . . 0.90000000000000002 115.458 -170.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.22 0.86 84.73 Favored Glycine 0 CA--C 1.557 2.677 0 N-CA-C 119.107 2.403 . . . . 1.8500000000000001 119.107 -161.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.63 50.1 5.81 Favored Glycine 0 CA--C 1.541 1.676 0 CA-C-N 119.752 1.776 . . . . 1.54 116.7 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.33 1.1 mp -88.31 80.64 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.322 0 N-CA-C 105.991 -1.855 . . . . 2.8199999999999998 105.991 -176.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.282 8.9 p -118.66 55.4 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 CA-C-N 111.904 -2.407 . . . . 2.25 111.664 -152.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.295 0.7 OUTLIER 3.53 150.93 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 120.703 3.594 . . . . 2.4700000000000002 120.703 129.301 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 120.634 -1.291 . . . . 2.5800000000000001 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 5.8600000000000003 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.2 p -90.79 129.19 36.88 Favored 'General case' 0 N--CA 1.503 2.175 1 O-C-N 115.761 -4.337 . . . . 2.4500000000000002 107.093 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.267 20.8 mttt -114.61 166.95 11.18 Favored 'General case' 0 CA--C 1.571 1.781 0 C-N-CA 126.022 1.729 . . . . 4.6299999999999999 109.767 -171.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.491 ' HB2' ' H ' ' A' ' 8' ' ' ILE . 66.6 m -79.06 167.43 21.08 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 123.437 0.695 . . . . 2.6299999999999999 112.03 170.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.07 92.14 0.52 Allowed 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 122.036 0.922 . . . . 1.1200000000000001 110.055 171.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.8 -78.87 0.38 Allowed Glycine 0 CA--C 1.538 1.515 0 CA-C-N 113.697 -1.592 . . . . 1.6299999999999999 110.204 -151.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.52 73.43 0.08 OUTLIER Glycine 0 C--N 1.353 1.498 0 CA-C-O 118.05 -1.416 . . . . 1.3700000000000001 114.371 161.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.491 ' H ' ' HB2' ' A' ' 4' ' ' SER 0.31 31.3 mm -96.33 60.85 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 CA-C-O 122.757 1.265 . . . . 2.0600000000000001 110.053 -159.204 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.349 4.0 p -32.82 82.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 128.362 2.665 . . . . 2.0699999999999998 116.143 -152.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.85 -42.98 99.96 Favored 'General case' 0 CA--C 1.563 1.444 0 CA-C-N 109.18 -3.645 . . . . 2.0099999999999998 118.28 -158.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.066 0 O-C-N 118.967 -2.333 . . . . 2.3199999999999998 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.337 . . . . . . . . 3.1200000000000001 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.4 p -96.22 128.44 43.13 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 125.683 1.865 . . . . 2.1000000000000001 107.167 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -76.03 158.66 31.62 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 123.388 1.566 . . . . 4.0 111.881 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.3 t -93.19 165.99 12.54 Favored 'General case' 0 CA--C 1.564 1.511 0 CA-C-N 110.357 -3.11 . . . . 2.6899999999999999 111.996 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.63 117.75 19.35 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.051 0.94 . . . . 0.73999999999999999 109.105 165.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.07 -82.21 0.65 Allowed Glycine 0 N--CA 1.476 1.364 0 N-CA-C 109.178 -1.569 . . . . 1.3700000000000001 109.178 -147.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.82 76.24 0.55 Allowed Glycine 0 C--N 1.352 1.437 0 CA-C-O 118.452 -1.193 . . . . 1.4199999999999999 114.882 158.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.357 1.1 mp -86.05 64.06 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.834 0 CA-C-O 122.903 1.335 . . . . 2.8999999999999999 110.411 -168.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.334 4.3 p -42.64 86.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 127.303 2.241 . . . . 1.8600000000000001 115.229 -145.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.2 -41.15 87.88 Favored 'General case' 0 CA--C 1.562 1.438 0 CA-C-N 108.495 -3.957 . . . . 1.6299999999999999 118.599 -164.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.113 0 O-C-N 119.039 -2.288 . . . . 2.7400000000000002 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 4.1799999999999997 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.6 p -92.88 131.3 38.03 Favored 'General case' 0 N--CA 1.503 2.185 1 O-C-N 115.772 -4.33 . . . . 2.0499999999999998 106.953 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.318 6.5 ptmt -70.34 166.4 20.3 Favored 'General case' 0 CA--C 1.572 1.796 0 C-N-CA 125.634 1.574 . . . . 3.8500000000000001 114.887 -165.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.1 m -126.15 158.41 35.62 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 125.126 1.37 . . . . 3.6699999999999999 109.765 177.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.47 135.24 34.04 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 115.005 1.483 . . . . 1.0600000000000001 115.005 -170.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.82 28.07 43.78 Favored Glycine 0 CA--C 1.553 2.407 0 N-CA-C 118.814 2.286 . . . . 2.1200000000000001 118.814 -166.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.32 57.37 7.56 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 118.433 2.133 . . . . 1.75 118.433 174.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.1 mm -108.17 77.68 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 103.233 -2.877 . . . . 2.9100000000000001 103.233 -166.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.297 3.7 p -119.72 52.07 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 CA-C-O 124.277 1.989 . . . . 2.3100000000000001 112.643 -146.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.3 0.7 OUTLIER 2.3 151.32 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 120.586 3.55 . . . . 2.3900000000000001 120.586 132.315 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 120.703 -1.248 . . . . 2.3799999999999999 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 3.7599999999999998 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 p -92.46 123.3 35.67 Favored 'General case' 0 N--CA 1.503 2.187 1 O-C-N 115.76 -4.337 . . . . 2.79 106.197 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -84.42 169.36 14.64 Favored 'General case' 0 CA--C 1.571 1.783 0 C-N-CA 124.535 1.134 . . . . 3.8500000000000001 110.48 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.03 170.37 10.4 Favored 'General case' 0 CA--C 1.569 1.707 0 C-N-CA 123.625 0.77 . . . . 3.1400000000000001 109.485 170.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.84 78.3 1.6 Allowed 'General case' 0 CA--C 1.571 1.771 0 CA-C-O 122.22 1.01 . . . . 1.53 111.408 168.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.67 64.92 1.77 Allowed Glycine 0 CA--C 1.563 3.035 0 CA-C-O 115.308 -2.94 . . . . 2.79 112.158 -171.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.89 82.04 0.04 OUTLIER Glycine 0 C--N 1.363 2.033 2 CA-C-N 129.374 6.587 . . . . 2.0699999999999998 111.678 -5.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.297 45.6 mm -98.13 54.3 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.341 0 CA-C-O 123.41 1.576 . . . . 2.1600000000000001 111.776 -138.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.368 3.6 p -32.16 81.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 116.729 2.122 . . . . 2.1800000000000002 116.729 -141.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mt -71.67 141.11 49.89 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 109.387 -3.551 . . . . 1.99 114.17 -158.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.55 0 O-C-N 120.795 -1.191 . . . . 2.7599999999999998 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.361 . . . . . . . . 3.29 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 p -96.45 130.0 43.7 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 125.694 1.871 . . . . 2.04 107.198 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -68.19 158.89 32.22 Favored 'General case' 0 CA--C 1.566 1.568 0 C-N-CA 125.116 1.366 . . . . 4.8200000000000003 113.945 -174.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.2 t -109.83 154.86 22.4 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 111.644 -2.526 . . . . 2.5600000000000001 109.37 160.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.77 132.69 41.77 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 115.368 1.618 . . . . 0.77000000000000002 115.368 -165.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.58 43.2 12.52 Favored Glycine 0 CA--C 1.547 2.068 0 N-CA-C 118.177 2.031 . . . . 1.96 118.177 -172.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.16 58.64 7.79 Favored Glycine 0 C--N 1.354 1.568 0 N-CA-C 118.577 2.191 . . . . 1.8700000000000001 118.577 173.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.2 mm -111.51 78.49 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 N-CA-C 101.671 -3.455 . . . . 2.5299999999999998 101.671 -176.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.9 t -102.41 78.85 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 102.752 -3.055 . . . . 2.5699999999999998 102.752 -151.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.03 -44.68 68.77 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-N 109.994 -3.276 . . . . 1.8 117.362 -162.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.025 0 O-C-N 118.817 -2.427 . . . . 2.3900000000000001 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.325 . . . . . . . . 5.1600000000000001 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 m -133.53 156.33 47.97 Favored 'General case' 0 CA--C 1.571 1.783 0 O-C-N 125.593 1.808 . . . . 3.3700000000000001 107.463 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -69.12 158.37 35.01 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 125.619 1.567 . . . . 3.7200000000000002 114.112 -167.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.7 t -118.91 154.67 32.59 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 111.337 -2.665 . . . . 2.9100000000000001 110.28 172.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.71 138.23 14.72 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 116.032 1.864 . . . . 1.04 116.032 -164.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.69 24.29 70.41 Favored Glycine 0 CA--C 1.553 2.432 0 N-CA-C 118.885 2.314 . . . . 1.95 118.885 -167.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.23 64.82 2.93 Favored Glycine 0 C--N 1.354 1.555 0 N-CA-C 117.667 1.827 . . . . 1.6899999999999999 117.667 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.6 mm -99.01 73.38 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.206 0 N-CA-C 103.447 -2.797 . . . . 3.0299999999999998 103.447 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.31 5.3 p -119.11 52.34 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 CA-C-O 124.343 2.02 . . . . 2.6800000000000002 112.087 -140.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.309 0.8 OUTLIER -0.1 126.65 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 120.402 3.482 . . . . 2.6899999999999999 120.402 133.113 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.544 0 O-C-N 120.699 -1.251 . . . . 2.9100000000000001 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.32 . . . . . . . . 4.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.5 p -95.46 131.36 41.7 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 125.708 1.88 . . . . 2.0499999999999998 107.353 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.322 4.2 ptmt -70.3 166.63 19.76 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 115.159 1.54 . . . . 3.9900000000000002 115.159 -165.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.0 m -116.74 152.98 33.2 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 114.512 -1.222 . . . . 3.1600000000000001 110.141 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.47 138.46 55.06 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.529 1.307 . . . . 0.87 114.529 -173.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.15 -84.29 0.49 Allowed Glycine 0 N--CA 1.478 1.439 0 N-CA-C 109.524 -1.43 . . . . 1.5900000000000001 109.524 -162.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.88 65.8 0.02 OUTLIER Glycine 0 CA--C 1.537 1.442 0 N-CA-C 115.957 1.143 . . . . 1.4399999999999999 115.957 156.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.425 ' CD1' ' H ' ' A' ' 8' ' ' ILE 0.293 1.1 mp -90.68 88.96 2.94 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.395 0 N-CA-C 104.074 -2.565 . . . . 2.8900000000000001 104.074 179.711 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.299 5.7 p -97.72 75.8 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-N 111.443 -2.617 . . . . 2.1299999999999999 108.078 -156.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -67.26 -44.45 79.34 Favored 'General case' 0 CA--C 1.561 1.37 0 CA-C-N 109.119 -3.673 . . . . 1.96 117.669 -163.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.043 0 O-C-N 118.851 -2.406 . . . . 2.6600000000000001 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.339 . . . . . . . . 3.7799999999999998 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.5 p -95.53 131.34 41.82 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 125.646 1.841 . . . . 2.3100000000000001 107.32 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.31 23.9 pttt -69.82 165.21 21.99 Favored 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 115.209 1.559 . . . . 3.9300000000000002 115.209 -165.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.9 t -96.69 151.22 19.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 124.302 1.001 . . . . 2.7799999999999998 109.62 166.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.32 130.95 46.73 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.507 1.123 . . . . 1.0600000000000001 113.632 -175.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.2 -93.59 0.81 Allowed Glycine 0 C--N 1.345 1.077 0 N-CA-C 107.736 -2.145 . . . . 1.5 107.736 -159.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.44 -92.08 0.19 Allowed Glycine 0 C--N 1.35 1.328 0 N-CA-C 110.55 -1.02 . . . . 2.3599999999999999 110.55 -177.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.505 ' CD1' ' H ' ' A' ' 8' ' ' ILE 0.418 1.3 mp 38.71 70.56 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 C-N-CA 128.822 2.849 . . . . 3.2599999999999998 113.351 175.527 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.299 4.7 p -107.11 74.6 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 112.253 -2.249 . . . . 2.6200000000000001 108.957 -149.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mt -78.12 143.11 37.59 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 108.979 -3.737 . . . . 2.2799999999999998 113.756 -161.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.574 0 O-C-N 120.742 -1.224 . . . . 2.46 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.9 p . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 107.182 -1.414 . . . . 1.8 107.182 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.274 9.5 mttp -109.64 166.43 10.91 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 125.826 1.65 . . . . 4.1 110.258 -171.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.408 ' H ' ' H ' ' A' ' 8' ' ' ILE . 60.3 p -81.84 167.66 18.79 Favored 'General case' 0 CA--C 1.569 1.689 0 C-N-CA 123.325 0.65 . . . . 2.92 111.482 170.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.15 90.3 0.33 Allowed 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 122.083 0.944 . . . . 0.96 110.265 168.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.28 -79.53 0.35 Allowed Glycine 0 CA--C 1.539 1.564 0 CA-C-N 113.632 -1.622 . . . . 1.5 110.035 -151.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.26 75.27 0.13 Allowed Glycine 0 C--N 1.352 1.467 0 CA-C-O 117.829 -1.539 . . . . 0.99 114.768 161.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.408 ' H ' ' H ' ' A' ' 4' ' ' SER 0.302 33.0 mm -101.15 59.79 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.45 0 CA-C-O 122.899 1.333 . . . . 1.97 110.714 -163.105 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.355 4.0 p -28.89 81.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 C-N-CA 128.556 2.742 . . . . 2.22 116.65 -154.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 CA--C 1.563 1.46 0 CA-C-N 109.179 -3.646 . . . . 1.93 118.039 -159.515 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.495 1.781 0 N-CA-C 107.482 -1.303 . . . . 2.91 107.482 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.309 0.7 OUTLIER -104.73 167.03 9.99 Favored 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 126.876 2.071 . . . . 5.23 110.449 -170.564 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.47 ' H ' ' H ' ' A' ' 8' ' ' ILE . 42.5 t -85.94 168.76 13.88 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.513 -0.767 . . . . 2.07 111.234 169.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.12 92.12 0.38 Allowed 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 122.061 0.934 . . . . 1.17 110.25 172.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.29 -79.42 0.37 Allowed Glycine 0 CA--C 1.539 1.555 0 CA-C-N 113.608 -1.633 . . . . 1.72 110.188 -152.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.36 73.12 0.06 OUTLIER Glycine 0 C--N 1.353 1.473 0 CA-C-O 118.2 -1.333 . . . . 1.03 114.378 161.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.47 ' H ' ' H ' ' A' ' 4' ' ' SER 0.272 31.7 mm -101.79 67.77 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.185 0 CA-C-O 122.403 1.096 . . . . 1.94 108.529 -156.839 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.356 4.2 p -31.03 82.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 C-N-CA 128.102 2.561 . . . . 2.68 116.845 -154.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.8 mt . . . . . 0 CA--C 1.541 0.62 0 CA-C-N 108.48 -3.964 . . . . 3.16 116.85 -158.278 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.9 p . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 107.336 -1.357 . . . . 1.95 107.336 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.314 8.2 pttm -69.39 165.73 20.18 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 115.315 1.598 . . . . 3.22 115.315 -164.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.2 t -102.48 156.43 17.61 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 124.311 1.007 . . . . 2.32 109.598 166.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.72 132.78 50.01 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 114.533 1.309 . . . . 0.73 114.533 -170.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.14 40.55 9.16 Favored Glycine 0 CA--C 1.55 2.25 0 N-CA-C 118.217 2.047 . . . . 2.02 118.217 -169.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.37 52.54 21.47 Favored Glycine 0 C--N 1.352 1.469 0 N-CA-C 118.74 2.256 . . . . 1.38 118.74 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.7 mm -114.0 80.21 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 103.085 -2.932 . . . . 2.33 103.085 -167.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.8 t -106.91 80.67 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 102.287 -3.227 . . . . 2.86 102.287 -154.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 CA--C 1.56 1.335 0 CA-C-N 109.594 -3.457 . . . . 2.22 117.146 -160.697 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.4 p . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 106.47 -1.678 . . . . 1.84 106.47 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -87.28 168.04 13.55 Favored 'General case' 0 CA--C 1.575 1.918 0 C-N-CA 124.316 1.046 . . . . 2.87 110.032 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.443 ' HB2' ' H ' ' A' ' 8' ' ' ILE . 71.0 m -95.52 158.1 15.6 Favored 'General case' 0 CA--C 1.559 1.295 0 CA-C-N 114.039 -1.437 . . . . 2.28 110.678 168.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.04 123.6 23.15 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.828 0.851 . . . . 0.72 110.822 170.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.56 -82.13 0.31 Allowed Glycine 0 CA--C 1.536 1.394 0 N-CA-C 109.907 -1.277 . . . . 1.46 109.907 -156.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.75 74.05 0.02 OUTLIER Glycine 0 CA--C 1.536 1.389 0 N-CA-C 115.298 0.879 . . . . 0.98 115.298 158.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.443 ' H ' ' HB2' ' A' ' 4' ' ' SER 0.275 1.1 mp -92.15 96.98 6.7 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 N-CA-C 102.21 -3.255 . . . . 2.1 102.21 175.762 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.313 6.2 p -90.41 75.16 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 CA-C-N 111.967 -2.379 . . . . 2.22 109.62 -155.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 CA--C 1.559 1.298 0 CA-C-N 108.867 -3.788 . . . . 1.91 117.305 -167.387 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.496 1.843 0 N-CA-C 106.493 -1.669 . . . . 2.24 106.493 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.343 0.2 OUTLIER -70.23 169.47 13.62 Favored 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 115.577 1.695 . . . . 2.78 115.577 -164.703 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.1 p -75.09 172.02 13.09 Favored 'General case' 0 CA--C 1.569 1.694 0 C-N-CA 125.057 1.343 . . . . 2.79 112.985 -178.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.15 113.73 10.54 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.86 0.864 . . . . 0.86 109.529 165.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.95 -83.77 0.39 Allowed Glycine 0 N--CA 1.477 1.407 0 N-CA-C 109.297 -1.521 . . . . 1.52 109.297 -151.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.19 71.13 0.19 Allowed Glycine 0 C--N 1.351 1.406 0 N-CA-C 115.954 1.142 . . . . 0.98 115.954 158.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.425 1.4 mp -84.93 25.99 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 116.407 2.003 . . . . 2.37 116.407 -175.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.451 1.0 OUTLIER 46.21 77.0 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 C-N-CA 130.283 3.433 . . . . 1.99 112.264 162.426 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.305 3.2 mp . . . . . 0 CA--C 1.56 1.328 0 CA-C-N 109.245 -3.616 . . . . 2.25 118.106 -169.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 p . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 107.433 -1.321 . . . . 2.07 107.433 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.25 4.7 mtmm -124.22 166.64 15.5 Favored 'General case' 0 CA--C 1.574 1.874 0 C-N-CA 126.011 1.724 . . . . 3.74 109.616 -170.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.8 t -82.7 168.15 17.52 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.554 0.741 . . . . 2.18 111.612 166.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.74 93.15 0.92 Allowed 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.945 0.898 . . . . 1.04 109.748 170.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.88 -78.01 0.39 Allowed Glycine 0 CA--C 1.538 1.499 0 CA-C-N 113.712 -1.586 . . . . 1.61 110.299 -150.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.73 69.53 0.1 Allowed Glycine 0 C--N 1.354 1.539 0 CA-C-O 117.751 -1.583 . . . . 1.17 115.225 161.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.324 36.4 mm -96.35 55.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.507 0 CA-C-O 123.23 1.491 . . . . 2.04 111.538 -154.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.38 3.3 p -26.23 79.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 C-N-CA 128.303 2.641 . . . . 2.04 117.538 -149.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.308 2.6 mp . . . . . 0 CA--C 1.564 1.515 0 CA-C-N 108.451 -3.977 . . . . 2.31 121.491 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.0 p . . . . . 0 N--CA 1.503 2.203 0 N-CA-C 106.235 -1.765 . . . . 1.82 106.235 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -90.47 163.42 14.65 Favored 'General case' 0 CA--C 1.57 1.716 0 C-N-CA 124.509 1.124 . . . . 2.97 109.002 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.8 m -130.54 157.13 43.53 Favored 'General case' 0 CA--C 1.563 1.471 0 C-N-CA 125.397 1.479 . . . . 2.98 110.042 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.2 140.01 10.28 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 115.792 1.775 . . . . 1.1 115.792 -167.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.04 1.53 79.86 Favored Glycine 0 CA--C 1.557 2.671 0 N-CA-C 118.877 2.311 . . . . 1.76 118.877 -160.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.86 69.68 1.37 Allowed Glycine 0 C--N 1.353 1.491 0 CA-C-N 119.665 1.733 . . . . 1.19 115.507 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.0 mm -110.27 88.98 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 101.012 -3.699 . . . . 2.27 101.012 -163.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.307 5.9 p -94.01 76.14 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 CA-C-N 112.839 -1.982 . . . . 2.52 108.636 -155.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 CA--C 1.544 0.719 0 CA-C-N 109.057 -3.701 . . . . 1.68 114.003 -165.388 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.9 p . . . . . 0 N--CA 1.495 1.786 0 N-CA-C 106.461 -1.681 . . . . 1.93 106.461 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -81.79 169.52 16.81 Favored 'General case' 0 CA--C 1.578 2.037 0 C-N-CA 124.557 1.143 . . . . 3.04 110.494 -177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.8 t -103.66 166.32 10.49 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.727 1.211 . . . . 1.97 111.294 171.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.07 117.62 17.97 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 123.966 0.907 . . . . 0.68 109.346 165.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.55 -82.92 0.62 Allowed Glycine 0 N--CA 1.478 1.444 0 N-CA-C 109.104 -1.599 . . . . 1.38 109.104 -148.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.43 77.19 0.56 Allowed Glycine 0 C--N 1.352 1.448 0 CA-C-O 118.855 -0.969 . . . . 1.04 114.656 158.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.35 1.1 mp -86.88 66.41 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-O 122.916 1.341 . . . . 2.1 109.575 -169.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.351 0.9 OUTLIER -42.92 88.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 C-N-CA 128.678 2.791 . . . . 2.11 112.822 -146.724 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 CA--C 1.547 0.828 1 CA-C-N 108.151 -4.113 . . . . 2.01 114.786 -165.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.499 1.996 0 N-CA-C 106.682 -1.599 . . . . 4.92 106.682 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.403 ' HB2' ' H ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -72.06 -166.28 0.22 Allowed 'General case' 0 CA--C 1.588 2.439 0 CA-C-O 121.547 0.689 . . . . 12.3 109.771 169.814 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.2 m 42.4 144.66 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.343 0 N-CA-C 120.287 3.44 . . . . 2.37 120.287 129.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.16 88.93 7.79 Favored 'General case' 0 CA--C 1.567 1.613 0 N-CA-C 108.755 -0.832 . . . . 1.18 108.755 137.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.09 81.05 1.31 Allowed Glycine 0 N--CA 1.484 1.841 0 CA-C-O 119.035 -0.87 . . . . 3.1 113.946 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.541 ' H ' ' HB ' ' A' ' 8' ' ' ILE . . . -140.32 -66.96 0.04 OUTLIER Glycine 0 CA--C 1.545 1.921 0 CA-C-O 116.673 -2.181 . . . . 2.3 111.449 -176.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.541 ' HB ' ' H ' ' A' ' 7' ' ' GLY 0.381 10.5 tp -128.42 159.09 40.31 Favored 'Isoleucine or valine' 0 C--N 1.371 1.53 1 CA-C-N 126.66 5.23 . . . . 7.91 111.176 -21.433 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.427 2.8 p 41.55 68.11 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.789 1 CA-C-N 108.326 -4.034 . . . . 4.96 116.589 -170.074 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.403 ' H ' ' HB2' ' A' ' 3' ' ' LYS . 97.7 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 110.096 -3.229 . . . . 6.27 113.599 -160.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 107.206 -1.405 . . . . 1.62 107.206 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -117.12 169.29 9.55 Favored 'General case' 0 CA--C 1.574 1.875 0 C-N-CA 125.703 1.601 . . . . 4.31 108.775 -173.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.0 m -82.36 166.32 19.55 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 123.32 0.648 . . . . 2.31 112.018 172.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.4 94.34 1.62 Allowed 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 123.926 0.89 . . . . 0.85 109.433 170.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.57 -77.23 0.39 Allowed Glycine 0 CA--C 1.538 1.521 0 CA-C-N 113.785 -1.552 . . . . 1.51 110.378 -149.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.44 77.41 0.26 Allowed Glycine 0 C--N 1.353 1.491 0 CA-C-O 117.764 -1.575 . . . . 1.01 113.512 162.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.324 40.8 mm -101.85 53.83 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.505 0 CA-C-O 123.061 1.41 . . . . 2.0 111.971 -159.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.359 4.3 p -31.65 81.47 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 C-N-CA 127.97 2.508 . . . . 2.3 117.131 -148.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.358 1.3 mp . . . . . 0 CA--C 1.551 0.998 0 CA-C-N 108.45 -3.977 . . . . 1.89 118.226 171.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.3 p . . . . . 0 N--CA 1.511 2.602 0 CA-C-O 118.625 -0.702 . . . . 1.82 110.647 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -88.52 170.15 11.13 Favored 'General case' 0 CA--C 1.573 1.846 0 O-C-N 124.605 1.19 . . . . 3.05 110.084 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.6 t -103.95 167.22 9.91 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.58 1.152 . . . . 1.87 111.306 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.42 116.18 15.87 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.02 0.928 . . . . 0.81 109.409 170.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 95.75 -80.98 0.81 Allowed Glycine 0 N--CA 1.478 1.471 0 N-CA-C 109.81 -1.316 . . . . 1.43 109.81 -148.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.26 74.27 0.39 Allowed Glycine 0 C--N 1.352 1.455 0 CA-C-O 118.301 -1.277 . . . . 1.02 115.964 160.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.385 1.2 mp -86.21 55.09 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 CA-C-O 123.317 1.532 . . . . 2.33 112.358 -167.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.37 3.7 p -27.48 78.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 C-N-CA 128.308 2.643 . . . . 1.88 117.45 -147.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.412 ' H ' ' CD1' ' A' ' 10' ' ' LEU 0.319 1.9 mp . . . . . 0 CA--C 1.563 1.467 1 CA-C-N 108.201 -4.09 . . . . 2.24 121.702 176.214 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 p . . . . . 0 N--CA 1.503 2.218 0 N-CA-C 107.084 -1.45 . . . . 1.87 107.084 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.313 0.0 OUTLIER -71.5 164.85 25.04 Favored 'General case' 0 CA--C 1.569 1.706 0 N-CA-C 114.87 1.433 . . . . 3.87 114.87 -165.191 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.0 m -108.41 157.95 17.95 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 114.413 -1.267 . . . . 2.89 110.182 173.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.43 139.36 15.58 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 115.458 1.651 . . . . 0.82 115.458 -170.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.22 0.86 84.73 Favored Glycine 0 CA--C 1.557 2.677 0 N-CA-C 119.107 2.403 . . . . 1.85 119.107 -161.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.63 50.1 5.81 Favored Glycine 0 CA--C 1.541 1.676 0 CA-C-N 119.752 1.776 . . . . 1.09 116.7 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.33 1.1 mp -88.31 80.64 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.322 0 N-CA-C 105.991 -1.855 . . . . 2.6 105.991 -176.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.282 8.9 p -118.66 55.4 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 CA-C-N 111.904 -2.407 . . . . 2.25 111.664 -152.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.295 0.7 OUTLIER . . . . . 0 CA--C 1.557 1.226 0 N-CA-C 120.703 3.594 . . . . 2.29 120.703 129.301 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.2 p . . . . . 0 N--CA 1.503 2.175 0 N-CA-C 107.093 -1.447 . . . . 1.68 107.093 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.267 20.8 mttt -114.61 166.95 11.18 Favored 'General case' 0 CA--C 1.571 1.781 0 C-N-CA 126.022 1.729 . . . . 3.58 109.767 -171.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.474 ' H ' ' H ' ' A' ' 8' ' ' ILE . 66.6 m -79.06 167.43 21.08 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 123.437 0.695 . . . . 2.44 112.03 170.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.07 92.14 0.52 Allowed 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 122.036 0.922 . . . . 1.03 110.055 171.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.8 -78.87 0.38 Allowed Glycine 0 CA--C 1.538 1.515 0 CA-C-N 113.697 -1.592 . . . . 1.63 110.204 -151.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.52 73.43 0.08 OUTLIER Glycine 0 C--N 1.353 1.498 0 CA-C-O 118.05 -1.416 . . . . 1.05 114.371 161.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.474 ' H ' ' H ' ' A' ' 4' ' ' SER 0.31 31.3 mm -96.33 60.85 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 CA-C-O 122.757 1.265 . . . . 1.9 110.053 -159.204 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.349 4.0 p -32.82 82.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 128.362 2.665 . . . . 2.07 116.143 -152.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 CA--C 1.563 1.444 0 CA-C-N 109.18 -3.645 . . . . 2.01 118.28 -158.576 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.4 p . . . . . 0 N--CA 1.496 1.846 0 N-CA-C 107.167 -1.42 . . . . 1.73 107.167 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -76.03 158.66 31.62 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 123.388 1.566 . . . . 3.11 111.881 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.3 t -93.19 165.99 12.54 Favored 'General case' 0 CA--C 1.564 1.511 0 CA-C-N 110.357 -3.11 . . . . 1.93 111.996 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.63 117.75 19.35 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.051 0.94 . . . . 0.68 109.105 165.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.07 -82.21 0.65 Allowed Glycine 0 N--CA 1.476 1.364 0 N-CA-C 109.178 -1.569 . . . . 1.37 109.178 -147.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.82 76.24 0.55 Allowed Glycine 0 C--N 1.352 1.437 0 CA-C-O 118.452 -1.193 . . . . 1.06 114.882 158.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.357 1.1 mp -86.05 64.06 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.834 0 CA-C-O 122.903 1.335 . . . . 2.13 110.411 -168.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.334 4.3 p -42.64 86.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 127.303 2.241 . . . . 1.86 115.229 -145.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 CA--C 1.562 1.438 0 CA-C-N 108.495 -3.957 . . . . 1.57 118.599 -164.799 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.6 p . . . . . 0 N--CA 1.503 2.185 0 N-CA-C 106.953 -1.499 . . . . 1.83 106.953 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.318 6.5 ptmt -70.34 166.4 20.3 Favored 'General case' 0 CA--C 1.572 1.796 0 C-N-CA 125.634 1.574 . . . . 3.02 114.887 -165.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.1 m -126.15 158.41 35.62 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 125.126 1.37 . . . . 2.97 109.765 177.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.47 135.24 34.04 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 115.005 1.483 . . . . 0.91 115.005 -170.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.82 28.07 43.78 Favored Glycine 0 CA--C 1.553 2.407 0 N-CA-C 118.814 2.286 . . . . 2.12 118.814 -166.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.32 57.37 7.56 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 118.433 2.133 . . . . 1.22 118.433 174.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.1 mm -108.17 77.68 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 103.233 -2.877 . . . . 2.69 103.233 -166.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.297 3.7 p -119.72 52.07 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 CA-C-O 124.277 1.989 . . . . 2.31 112.643 -146.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.3 0.7 OUTLIER . . . . . 0 CA--C 1.557 1.228 0 N-CA-C 120.586 3.55 . . . . 2.39 120.586 132.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 N--CA 1.503 2.187 0 N-CA-C 106.197 -1.779 . . . . 1.99 106.197 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -84.42 169.36 14.64 Favored 'General case' 0 CA--C 1.571 1.783 0 C-N-CA 124.535 1.134 . . . . 2.82 110.48 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.03 170.37 10.4 Favored 'General case' 0 CA--C 1.569 1.707 0 C-N-CA 123.625 0.77 . . . . 2.72 109.485 170.041 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.84 78.3 1.6 Allowed 'General case' 0 CA--C 1.571 1.771 0 CA-C-O 122.22 1.01 . . . . 1.53 111.408 168.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.67 64.92 1.77 Allowed Glycine 0 CA--C 1.563 3.035 0 CA-C-O 115.308 -2.94 . . . . 2.79 112.158 -171.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' H ' HD13 ' A' ' 8' ' ' ILE . . . 160.89 82.04 0.04 OUTLIER Glycine 0 C--N 1.363 2.033 2 CA-C-N 129.374 6.587 . . . . 1.12 111.678 -5.789 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.4 HD13 ' H ' ' A' ' 7' ' ' GLY 0.297 45.6 mm -98.13 54.3 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.341 0 CA-C-O 123.41 1.576 . . . . 1.99 111.776 -138.822 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.368 3.6 p -32.16 81.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 116.729 2.122 . . . . 2.18 116.729 -141.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 CA--C 1.545 0.764 0 CA-C-N 109.387 -3.551 . . . . 1.99 114.17 -158.67 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 N--CA 1.496 1.846 0 N-CA-C 107.198 -1.408 . . . . 1.55 107.198 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -68.19 158.89 32.22 Favored 'General case' 0 CA--C 1.566 1.568 0 C-N-CA 125.116 1.366 . . . . 3.88 113.945 -174.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.2 t -109.83 154.86 22.4 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 111.644 -2.526 . . . . 2.33 109.37 160.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.77 132.69 41.77 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 115.368 1.618 . . . . 0.76 115.368 -165.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.58 43.2 12.52 Favored Glycine 0 CA--C 1.547 2.068 0 N-CA-C 118.177 2.031 . . . . 1.96 118.177 -172.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.16 58.64 7.79 Favored Glycine 0 C--N 1.354 1.568 0 N-CA-C 118.577 2.191 . . . . 1.31 118.577 173.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.2 mm -111.51 78.49 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 N-CA-C 101.671 -3.455 . . . . 2.35 101.671 -176.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.9 t -102.41 78.85 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 102.752 -3.055 . . . . 2.57 102.752 -151.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 CA--C 1.56 1.346 0 CA-C-N 109.994 -3.276 . . . . 1.8 117.362 -162.564 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 CA--C 1.571 1.783 0 N-CA-C 107.463 -1.31 . . . . 2.67 107.463 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -69.12 158.37 35.01 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 125.619 1.567 . . . . 2.79 114.112 -167.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.7 t -118.91 154.67 32.59 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 111.337 -2.665 . . . . 2.7 110.28 172.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.71 138.23 14.72 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 116.032 1.864 . . . . 0.96 116.032 -164.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.69 24.29 70.41 Favored Glycine 0 CA--C 1.553 2.432 0 N-CA-C 118.885 2.314 . . . . 1.95 118.885 -167.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.23 64.82 2.93 Favored Glycine 0 C--N 1.354 1.555 0 N-CA-C 117.667 1.827 . . . . 1.42 117.667 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.6 mm -99.01 73.38 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.206 0 N-CA-C 103.447 -2.797 . . . . 2.82 103.447 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.31 5.3 p -119.11 52.34 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 CA-C-O 124.343 2.02 . . . . 2.68 112.087 -140.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.309 0.8 OUTLIER . . . . . 0 CA--C 1.556 1.21 0 N-CA-C 120.402 3.482 . . . . 2.69 120.402 133.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.5 p . . . . . 0 N--CA 1.496 1.846 0 N-CA-C 107.353 -1.351 . . . . 1.69 107.353 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.322 4.2 ptmt -70.3 166.63 19.76 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 115.159 1.54 . . . . 3.1 115.159 -165.23 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.0 m -116.74 152.98 33.2 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 114.512 -1.222 . . . . 2.67 110.141 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.47 138.46 55.06 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.529 1.307 . . . . 0.79 114.529 -173.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.15 -84.29 0.49 Allowed Glycine 0 N--CA 1.478 1.439 0 N-CA-C 109.524 -1.43 . . . . 1.59 109.524 -162.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.88 65.8 0.02 OUTLIER Glycine 0 CA--C 1.537 1.442 0 N-CA-C 115.957 1.143 . . . . 1.11 115.957 156.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.293 1.1 mp -90.68 88.96 2.94 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.395 0 N-CA-C 104.074 -2.565 . . . . 2.21 104.074 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.299 5.7 p -97.72 75.8 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-N 111.443 -2.617 . . . . 2.13 108.078 -156.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 CA--C 1.561 1.37 0 CA-C-N 109.119 -3.673 . . . . 1.76 117.669 -163.032 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.5 p . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 107.32 -1.363 . . . . 1.84 107.32 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.31 23.9 pttt -69.82 165.21 21.99 Favored 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 115.209 1.559 . . . . 3.01 115.209 -165.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.9 t -96.69 151.22 19.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 124.302 1.001 . . . . 2.27 109.62 166.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.32 130.95 46.73 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.507 1.123 . . . . 0.96 113.632 -175.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.2 -93.59 0.81 Allowed Glycine 0 C--N 1.345 1.077 0 N-CA-C 107.736 -2.145 . . . . 1.5 107.736 -159.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.44 -92.08 0.19 Allowed Glycine 0 C--N 1.35 1.328 0 N-CA-C 110.55 -1.02 . . . . 2.36 110.55 -177.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.418 1.3 mp 38.71 70.56 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 C-N-CA 128.822 2.849 . . . . 2.45 113.351 175.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.299 4.7 p -107.11 74.6 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 112.253 -2.249 . . . . 2.62 108.957 -149.106 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 CA--C 1.543 0.704 0 CA-C-N 108.979 -3.737 . . . . 2.18 113.756 -161.037 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.274 . . . . . . . . 3.23 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.9 p -95.86 129.04 43.22 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 125.686 1.866 . . . . 1.8 107.182 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.274 9.5 mttp -109.64 166.43 10.91 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 125.826 1.65 . . . . 4.1 110.258 -171.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.408 ' H ' ' H ' ' A' ' 8' ' ' ILE . 60.3 p -81.84 167.66 18.79 Favored 'General case' 0 CA--C 1.569 1.689 0 C-N-CA 123.325 0.65 . . . . 2.92 111.482 170.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.15 90.3 0.33 Allowed 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 122.083 0.944 . . . . 0.96 110.265 168.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.28 -79.53 0.35 Allowed Glycine 0 CA--C 1.539 1.564 0 CA-C-N 113.632 -1.622 . . . . 1.5 110.035 -151.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.26 75.27 0.13 Allowed Glycine 0 C--N 1.352 1.467 0 CA-C-O 117.829 -1.539 . . . . 0.99 114.768 161.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.408 ' H ' ' H ' ' A' ' 4' ' ' SER 0.302 33.0 mm -101.15 59.79 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.45 0 CA-C-O 122.899 1.333 . . . . 1.97 110.714 -163.105 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.355 4.0 p -28.89 81.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 C-N-CA 128.556 2.742 . . . . 2.22 116.65 -154.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.82 -43.47 96.13 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-N 109.179 -3.646 . . . . 1.93 118.039 -159.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.09 0 O-C-N 118.96 -2.337 . . . . 1.62 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.321 . . . . . . . . 2.83 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 m -134.05 155.77 49.42 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 125.637 1.836 . . . . 2.91 107.482 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.309 0.7 OUTLIER -104.73 167.03 9.99 Favored 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 126.876 2.071 . . . . 5.23 110.449 -170.564 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.47 ' H ' ' H ' ' A' ' 8' ' ' ILE . 42.5 t -85.94 168.76 13.88 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.513 -0.767 . . . . 2.07 111.234 169.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.12 92.12 0.38 Allowed 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 122.061 0.934 . . . . 1.17 110.25 172.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.29 -79.42 0.37 Allowed Glycine 0 CA--C 1.539 1.555 0 CA-C-N 113.608 -1.633 . . . . 1.72 110.188 -152.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.36 73.12 0.06 OUTLIER Glycine 0 C--N 1.353 1.473 0 CA-C-O 118.2 -1.333 . . . . 1.03 114.378 161.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.47 ' H ' ' H ' ' A' ' 4' ' ' SER 0.272 31.7 mm -101.79 67.77 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.185 0 CA-C-O 122.403 1.096 . . . . 1.94 108.529 -156.839 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.356 4.2 p -31.03 82.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 C-N-CA 128.102 2.561 . . . . 2.68 116.845 -154.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.8 mt -66.23 118.85 10.53 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 108.48 -3.964 . . . . 3.16 116.85 -158.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 O-C-N 121.317 -0.865 . . . . 2.26 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.305 . . . . . . . . 2.33 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.9 p -95.49 131.34 41.76 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 125.712 1.883 . . . . 1.95 107.336 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.314 8.2 pttm -69.39 165.73 20.18 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 115.315 1.598 . . . . 3.22 115.315 -164.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.2 t -102.48 156.43 17.61 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 124.311 1.007 . . . . 2.32 109.598 166.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.72 132.78 50.01 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 114.533 1.309 . . . . 0.73 114.533 -170.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.14 40.55 9.16 Favored Glycine 0 CA--C 1.55 2.25 0 N-CA-C 118.217 2.047 . . . . 2.02 118.217 -169.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.37 52.54 21.47 Favored Glycine 0 C--N 1.352 1.469 0 N-CA-C 118.74 2.256 . . . . 1.38 118.74 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.7 mm -114.0 80.21 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 103.085 -2.932 . . . . 2.33 103.085 -167.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.8 t -106.91 80.67 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 102.287 -3.227 . . . . 2.86 102.287 -154.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.11 -45.71 63.11 Favored 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 109.594 -3.457 . . . . 2.22 117.146 -160.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.042 0 O-C-N 118.831 -2.418 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.318 . . . . . . . . 2.29 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.4 p -97.2 123.79 41.09 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 125.654 1.846 . . . . 1.84 106.47 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -87.28 168.04 13.55 Favored 'General case' 0 CA--C 1.575 1.918 0 C-N-CA 124.316 1.046 . . . . 2.87 110.032 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.443 ' HB2' ' H ' ' A' ' 8' ' ' ILE . 71.0 m -95.52 158.1 15.6 Favored 'General case' 0 CA--C 1.559 1.295 0 CA-C-N 114.039 -1.437 . . . . 2.28 110.678 168.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.04 123.6 23.15 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.828 0.851 . . . . 0.72 110.822 170.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.56 -82.13 0.31 Allowed Glycine 0 CA--C 1.536 1.394 0 N-CA-C 109.907 -1.277 . . . . 1.46 109.907 -156.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.75 74.05 0.02 OUTLIER Glycine 0 CA--C 1.536 1.389 0 N-CA-C 115.298 0.879 . . . . 0.98 115.298 158.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.443 ' H ' ' HB2' ' A' ' 4' ' ' SER 0.275 1.1 mp -92.15 96.98 6.7 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 N-CA-C 102.21 -3.255 . . . . 2.1 102.21 175.762 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.313 6.2 p -90.41 75.16 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 CA-C-N 111.967 -2.379 . . . . 2.22 109.62 -155.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.32 -45.64 65.8 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 108.867 -3.788 . . . . 1.91 117.305 -167.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.036 0 O-C-N 118.794 -2.441 . . . . 2.03 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.337 . . . . . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.8 p -145.93 130.92 18.24 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 125.706 1.879 . . . . 2.24 106.493 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.343 0.2 OUTLIER -70.23 169.47 13.62 Favored 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 115.577 1.695 . . . . 2.78 115.577 -164.703 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.1 p -75.09 172.02 13.09 Favored 'General case' 0 CA--C 1.569 1.694 0 C-N-CA 125.057 1.343 . . . . 2.79 112.985 -178.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.15 113.73 10.54 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.86 0.864 . . . . 0.86 109.529 165.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.95 -83.77 0.39 Allowed Glycine 0 N--CA 1.477 1.407 0 N-CA-C 109.297 -1.521 . . . . 1.52 109.297 -151.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.19 71.13 0.19 Allowed Glycine 0 C--N 1.351 1.406 0 N-CA-C 115.954 1.142 . . . . 0.98 115.954 158.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.425 1.4 mp -84.93 25.99 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 116.407 2.003 . . . . 2.37 116.407 -175.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.451 1.0 OUTLIER 46.21 77.0 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 C-N-CA 130.283 3.433 . . . . 1.99 112.264 162.426 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.305 3.2 mp -69.5 -44.24 71.5 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-N 109.245 -3.616 . . . . 2.25 118.106 -169.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.046 0 O-C-N 118.841 -2.412 . . . . 1.73 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.304 . . . . . . . . 3.94 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 p -95.19 130.79 41.79 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 125.683 1.864 . . . . 2.07 107.433 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.25 4.7 mtmm -124.22 166.64 15.5 Favored 'General case' 0 CA--C 1.574 1.874 0 C-N-CA 126.011 1.724 . . . . 3.74 109.616 -170.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.8 t -82.7 168.15 17.52 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.554 0.741 . . . . 2.18 111.612 166.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.74 93.15 0.92 Allowed 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.945 0.898 . . . . 1.04 109.748 170.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.88 -78.01 0.39 Allowed Glycine 0 CA--C 1.538 1.499 0 CA-C-N 113.712 -1.586 . . . . 1.61 110.299 -150.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.73 69.53 0.1 Allowed Glycine 0 C--N 1.354 1.539 0 CA-C-O 117.751 -1.583 . . . . 1.17 115.225 161.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.324 36.4 mm -96.35 55.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.507 0 CA-C-O 123.23 1.491 . . . . 2.04 111.538 -154.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.38 3.3 p -26.23 79.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 C-N-CA 128.303 2.641 . . . . 2.04 117.538 -149.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.308 2.6 mp -33.47 -35.9 0.03 OUTLIER 'General case' 0 CA--C 1.564 1.515 0 CA-C-N 108.451 -3.977 . . . . 2.31 121.491 177.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.175 0 O-C-N 119.321 -2.112 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.022 . . . . . . . . 2.74 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.0 p -92.34 123.23 35.51 Favored 'General case' 0 N--CA 1.503 2.203 1 O-C-N 115.729 -4.357 . . . . 1.82 106.235 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -90.47 163.42 14.65 Favored 'General case' 0 CA--C 1.57 1.716 0 C-N-CA 124.509 1.124 . . . . 2.97 109.002 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.8 m -130.54 157.13 43.53 Favored 'General case' 0 CA--C 1.563 1.471 0 C-N-CA 125.397 1.479 . . . . 2.98 110.042 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.2 140.01 10.28 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 115.792 1.775 . . . . 1.1 115.792 -167.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.04 1.53 79.86 Favored Glycine 0 CA--C 1.557 2.671 0 N-CA-C 118.877 2.311 . . . . 1.76 118.877 -160.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.86 69.68 1.37 Allowed Glycine 0 C--N 1.353 1.491 0 CA-C-N 119.665 1.733 . . . . 1.19 115.507 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.0 mm -110.27 88.98 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 101.012 -3.699 . . . . 2.27 101.012 -163.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.307 5.9 p -94.01 76.14 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 CA-C-N 112.839 -1.982 . . . . 2.52 108.636 -155.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mt -74.79 142.42 44.25 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 109.057 -3.701 . . . . 1.68 114.003 -165.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 O-C-N 120.738 -1.227 . . . . 1.9 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.342 . . . . . . . . 2.19 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.9 p -97.25 123.91 41.19 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 125.685 1.866 . . . . 1.93 106.461 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -81.79 169.52 16.81 Favored 'General case' 0 CA--C 1.578 2.037 0 C-N-CA 124.557 1.143 . . . . 3.04 110.494 -177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.8 t -103.66 166.32 10.49 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.727 1.211 . . . . 1.97 111.294 171.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.07 117.62 17.97 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 123.966 0.907 . . . . 0.68 109.346 165.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.55 -82.92 0.62 Allowed Glycine 0 N--CA 1.478 1.444 0 N-CA-C 109.104 -1.599 . . . . 1.38 109.104 -148.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.43 77.19 0.56 Allowed Glycine 0 C--N 1.352 1.448 0 CA-C-O 118.855 -0.969 . . . . 1.04 114.656 158.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.35 1.1 mp -86.88 66.41 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-O 122.916 1.341 . . . . 2.1 109.575 -169.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.351 0.9 OUTLIER -42.92 88.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 C-N-CA 128.678 2.791 . . . . 2.11 112.822 -146.724 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt -66.33 143.19 57.32 Favored 'General case' 0 CA--C 1.547 0.828 1 CA-C-N 108.151 -4.113 . . . . 2.01 114.786 -165.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 120.839 -1.163 . . . . 1.54 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.338 . . . . . . . . 2.84 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.5 p -155.66 133.29 11.12 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 125.532 1.77 . . . . 4.92 106.682 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' HB2' ' H ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -72.06 -166.28 0.22 Allowed 'General case' 0 CA--C 1.588 2.439 0 CA-C-O 121.547 0.689 . . . . 12.3 109.771 169.814 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.2 m 42.4 144.66 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.343 0 N-CA-C 120.287 3.44 . . . . 2.37 120.287 129.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.16 88.93 7.79 Favored 'General case' 0 CA--C 1.567 1.613 0 N-CA-C 108.755 -0.832 . . . . 1.18 108.755 137.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.09 81.05 1.31 Allowed Glycine 0 N--CA 1.484 1.841 0 CA-C-O 119.035 -0.87 . . . . 3.1 113.946 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.541 ' H ' ' HB ' ' A' ' 8' ' ' ILE . . . -140.32 -66.96 0.04 OUTLIER Glycine 0 CA--C 1.545 1.921 0 CA-C-O 116.673 -2.181 . . . . 2.3 111.449 -176.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.541 ' HB ' ' H ' ' A' ' 7' ' ' GLY 0.381 10.5 tp -128.42 159.09 40.31 Favored 'Isoleucine or valine' 0 C--N 1.371 1.53 1 CA-C-N 126.66 5.23 . . . . 7.91 111.176 -21.433 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.427 2.8 p 41.55 68.11 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.789 1 CA-C-N 108.326 -4.034 . . . . 4.96 116.589 -170.074 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.403 ' H ' ' HB2' ' A' ' 3' ' ' LYS . 97.7 mt -93.32 113.45 25.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 110.096 -3.229 . . . . 6.27 113.599 -160.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.607 0 O-C-N 121.26 -0.9 . . . . 3.16 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.348 . . . . . . . . 3.36 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.8 p -95.61 128.93 42.89 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 125.718 1.886 . . . . 1.62 107.206 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -117.12 169.29 9.55 Favored 'General case' 0 CA--C 1.574 1.875 0 C-N-CA 125.703 1.601 . . . . 4.31 108.775 -173.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.0 m -82.36 166.32 19.55 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 123.32 0.648 . . . . 2.31 112.018 172.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.4 94.34 1.62 Allowed 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 123.926 0.89 . . . . 0.85 109.433 170.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.57 -77.23 0.39 Allowed Glycine 0 CA--C 1.538 1.521 0 CA-C-N 113.785 -1.552 . . . . 1.51 110.378 -149.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.44 77.41 0.26 Allowed Glycine 0 C--N 1.353 1.491 0 CA-C-O 117.764 -1.575 . . . . 1.01 113.512 162.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.324 40.8 mm -101.85 53.83 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.505 0 CA-C-O 123.061 1.41 . . . . 2.0 111.971 -159.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.359 4.3 p -31.65 81.47 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 C-N-CA 127.97 2.508 . . . . 2.3 117.131 -148.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.358 1.3 mp -38.49 152.93 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 108.45 -3.977 . . . . 1.89 118.226 171.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 O-C-N 120.996 -1.065 . . . . 2.07 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 . . . . . . . . 3.58 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.3 p 62.16 126.53 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.602 0 C-N-CA 126.859 2.064 . . . . 1.82 110.647 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -88.52 170.15 11.13 Favored 'General case' 0 CA--C 1.573 1.846 0 O-C-N 124.605 1.19 . . . . 3.05 110.084 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.6 t -103.95 167.22 9.91 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.58 1.152 . . . . 1.87 111.306 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.42 116.18 15.87 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.02 0.928 . . . . 0.81 109.409 170.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 95.75 -80.98 0.81 Allowed Glycine 0 N--CA 1.478 1.471 0 N-CA-C 109.81 -1.316 . . . . 1.43 109.81 -148.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.26 74.27 0.39 Allowed Glycine 0 C--N 1.352 1.455 0 CA-C-O 118.301 -1.277 . . . . 1.02 115.964 160.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.385 1.2 mp -86.21 55.09 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 CA-C-O 123.317 1.532 . . . . 2.33 112.358 -167.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.37 3.7 p -27.48 78.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 C-N-CA 128.308 2.643 . . . . 1.88 117.45 -147.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.412 ' H ' ' CD1' ' A' ' 10' ' ' LEU 0.319 1.9 mp -30.92 -35.28 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.467 1 CA-C-N 108.201 -4.09 . . . . 2.24 121.702 176.214 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.185 0 O-C-N 119.325 -2.109 . . . . 1.51 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 . . . . . . . . 3.65 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 p -90.63 130.94 36.59 Favored 'General case' 0 N--CA 1.503 2.218 1 O-C-N 115.721 -4.362 . . . . 1.87 107.084 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.313 0.0 OUTLIER -71.5 164.85 25.04 Favored 'General case' 0 CA--C 1.569 1.706 0 N-CA-C 114.87 1.433 . . . . 3.87 114.87 -165.191 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.0 m -108.41 157.95 17.95 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 114.413 -1.267 . . . . 2.89 110.182 173.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.43 139.36 15.58 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 115.458 1.651 . . . . 0.82 115.458 -170.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.22 0.86 84.73 Favored Glycine 0 CA--C 1.557 2.677 0 N-CA-C 119.107 2.403 . . . . 1.85 119.107 -161.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.63 50.1 5.81 Favored Glycine 0 CA--C 1.541 1.676 0 CA-C-N 119.752 1.776 . . . . 1.09 116.7 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.33 1.1 mp -88.31 80.64 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.322 0 N-CA-C 105.991 -1.855 . . . . 2.6 105.991 -176.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.282 8.9 p -118.66 55.4 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 CA-C-N 111.904 -2.407 . . . . 2.25 111.664 -152.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.295 0.7 OUTLIER 3.53 150.93 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 120.703 3.594 . . . . 2.29 120.703 129.301 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 120.634 -1.291 . . . . 1.71 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 4.74 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.2 p -90.79 129.19 36.88 Favored 'General case' 0 N--CA 1.503 2.175 1 O-C-N 115.761 -4.337 . . . . 1.68 107.093 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.267 20.8 mttt -114.61 166.95 11.18 Favored 'General case' 0 CA--C 1.571 1.781 0 C-N-CA 126.022 1.729 . . . . 3.58 109.767 -171.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.474 ' H ' ' H ' ' A' ' 8' ' ' ILE . 66.6 m -79.06 167.43 21.08 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 123.437 0.695 . . . . 2.44 112.03 170.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.07 92.14 0.52 Allowed 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 122.036 0.922 . . . . 1.03 110.055 171.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.8 -78.87 0.38 Allowed Glycine 0 CA--C 1.538 1.515 0 CA-C-N 113.697 -1.592 . . . . 1.63 110.204 -151.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.52 73.43 0.08 OUTLIER Glycine 0 C--N 1.353 1.498 0 CA-C-O 118.05 -1.416 . . . . 1.05 114.371 161.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.474 ' H ' ' H ' ' A' ' 4' ' ' SER 0.31 31.3 mm -96.33 60.85 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 CA-C-O 122.757 1.265 . . . . 1.9 110.053 -159.204 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.349 4.0 p -32.82 82.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 128.362 2.665 . . . . 2.07 116.143 -152.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.85 -42.98 99.96 Favored 'General case' 0 CA--C 1.563 1.444 0 CA-C-N 109.18 -3.645 . . . . 2.01 118.28 -158.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.066 0 O-C-N 118.967 -2.333 . . . . 1.38 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.337 . . . . . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.4 p -96.22 128.44 43.13 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 125.683 1.865 . . . . 1.73 107.167 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -76.03 158.66 31.62 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 123.388 1.566 . . . . 3.11 111.881 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.3 t -93.19 165.99 12.54 Favored 'General case' 0 CA--C 1.564 1.511 0 CA-C-N 110.357 -3.11 . . . . 1.93 111.996 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.63 117.75 19.35 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.051 0.94 . . . . 0.68 109.105 165.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.07 -82.21 0.65 Allowed Glycine 0 N--CA 1.476 1.364 0 N-CA-C 109.178 -1.569 . . . . 1.37 109.178 -147.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.82 76.24 0.55 Allowed Glycine 0 C--N 1.352 1.437 0 CA-C-O 118.452 -1.193 . . . . 1.06 114.882 158.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.357 1.1 mp -86.05 64.06 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.834 0 CA-C-O 122.903 1.335 . . . . 2.13 110.411 -168.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.334 4.3 p -42.64 86.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 127.303 2.241 . . . . 1.86 115.229 -145.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.2 -41.15 87.88 Favored 'General case' 0 CA--C 1.562 1.438 0 CA-C-N 108.495 -3.957 . . . . 1.57 118.599 -164.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.113 0 O-C-N 119.039 -2.288 . . . . 1.77 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 4.18 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.6 p -92.88 131.3 38.03 Favored 'General case' 0 N--CA 1.503 2.185 1 O-C-N 115.772 -4.33 . . . . 1.83 106.953 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.318 6.5 ptmt -70.34 166.4 20.3 Favored 'General case' 0 CA--C 1.572 1.796 0 C-N-CA 125.634 1.574 . . . . 3.02 114.887 -165.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.1 m -126.15 158.41 35.62 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 125.126 1.37 . . . . 2.97 109.765 177.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.47 135.24 34.04 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 115.005 1.483 . . . . 0.91 115.005 -170.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.82 28.07 43.78 Favored Glycine 0 CA--C 1.553 2.407 0 N-CA-C 118.814 2.286 . . . . 2.12 118.814 -166.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.32 57.37 7.56 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 118.433 2.133 . . . . 1.22 118.433 174.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.1 mm -108.17 77.68 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 103.233 -2.877 . . . . 2.69 103.233 -166.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.297 3.7 p -119.72 52.07 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 CA-C-O 124.277 1.989 . . . . 2.31 112.643 -146.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.3 0.7 OUTLIER 2.3 151.32 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 120.586 3.55 . . . . 2.39 120.586 132.315 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 120.703 -1.248 . . . . 1.5 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 2.71 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 p -92.46 123.3 35.67 Favored 'General case' 0 N--CA 1.503 2.187 1 O-C-N 115.76 -4.337 . . . . 1.99 106.197 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -84.42 169.36 14.64 Favored 'General case' 0 CA--C 1.571 1.783 0 C-N-CA 124.535 1.134 . . . . 2.82 110.48 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.03 170.37 10.4 Favored 'General case' 0 CA--C 1.569 1.707 0 C-N-CA 123.625 0.77 . . . . 2.72 109.485 170.041 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.84 78.3 1.6 Allowed 'General case' 0 CA--C 1.571 1.771 0 CA-C-O 122.22 1.01 . . . . 1.53 111.408 168.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.67 64.92 1.77 Allowed Glycine 0 CA--C 1.563 3.035 0 CA-C-O 115.308 -2.94 . . . . 2.79 112.158 -171.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' H ' HD13 ' A' ' 8' ' ' ILE . . . 160.89 82.04 0.04 OUTLIER Glycine 0 C--N 1.363 2.033 2 CA-C-N 129.374 6.587 . . . . 1.12 111.678 -5.789 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.4 HD13 ' H ' ' A' ' 7' ' ' GLY 0.297 45.6 mm -98.13 54.3 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.341 0 CA-C-O 123.41 1.576 . . . . 1.99 111.776 -138.822 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.368 3.6 p -32.16 81.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 116.729 2.122 . . . . 2.18 116.729 -141.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mt -71.67 141.11 49.89 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 109.387 -3.551 . . . . 1.99 114.17 -158.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.55 0 O-C-N 120.795 -1.191 . . . . 1.57 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.361 . . . . . . . . 2.34 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 p -96.45 130.0 43.7 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 125.694 1.871 . . . . 1.55 107.198 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -68.19 158.89 32.22 Favored 'General case' 0 CA--C 1.566 1.568 0 C-N-CA 125.116 1.366 . . . . 3.88 113.945 -174.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.2 t -109.83 154.86 22.4 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 111.644 -2.526 . . . . 2.33 109.37 160.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.77 132.69 41.77 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 115.368 1.618 . . . . 0.76 115.368 -165.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.58 43.2 12.52 Favored Glycine 0 CA--C 1.547 2.068 0 N-CA-C 118.177 2.031 . . . . 1.96 118.177 -172.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.16 58.64 7.79 Favored Glycine 0 C--N 1.354 1.568 0 N-CA-C 118.577 2.191 . . . . 1.31 118.577 173.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.2 mm -111.51 78.49 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 N-CA-C 101.671 -3.455 . . . . 2.35 101.671 -176.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.9 t -102.41 78.85 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 102.752 -3.055 . . . . 2.57 102.752 -151.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.03 -44.68 68.77 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-N 109.994 -3.276 . . . . 1.8 117.362 -162.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.025 0 O-C-N 118.817 -2.427 . . . . 1.47 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.325 . . . . . . . . 4.19 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 m -133.53 156.33 47.97 Favored 'General case' 0 CA--C 1.571 1.783 0 O-C-N 125.593 1.808 . . . . 2.67 107.463 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -69.12 158.37 35.01 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 125.619 1.567 . . . . 2.79 114.112 -167.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.7 t -118.91 154.67 32.59 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 111.337 -2.665 . . . . 2.7 110.28 172.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.71 138.23 14.72 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 116.032 1.864 . . . . 0.96 116.032 -164.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.69 24.29 70.41 Favored Glycine 0 CA--C 1.553 2.432 0 N-CA-C 118.885 2.314 . . . . 1.95 118.885 -167.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.23 64.82 2.93 Favored Glycine 0 C--N 1.354 1.555 0 N-CA-C 117.667 1.827 . . . . 1.42 117.667 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.6 mm -99.01 73.38 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.206 0 N-CA-C 103.447 -2.797 . . . . 2.82 103.447 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.31 5.3 p -119.11 52.34 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 CA-C-O 124.343 2.02 . . . . 2.68 112.087 -140.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.309 0.8 OUTLIER -0.1 126.65 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 120.402 3.482 . . . . 2.69 120.402 133.113 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.544 0 O-C-N 120.699 -1.251 . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.32 . . . . . . . . 2.97 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.5 p -95.46 131.36 41.7 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 125.708 1.88 . . . . 1.69 107.353 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.322 4.2 ptmt -70.3 166.63 19.76 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 115.159 1.54 . . . . 3.1 115.159 -165.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.0 m -116.74 152.98 33.2 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 114.512 -1.222 . . . . 2.67 110.141 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.47 138.46 55.06 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.529 1.307 . . . . 0.79 114.529 -173.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.15 -84.29 0.49 Allowed Glycine 0 N--CA 1.478 1.439 0 N-CA-C 109.524 -1.43 . . . . 1.59 109.524 -162.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.88 65.8 0.02 OUTLIER Glycine 0 CA--C 1.537 1.442 0 N-CA-C 115.957 1.143 . . . . 1.11 115.957 156.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.293 1.1 mp -90.68 88.96 2.94 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.395 0 N-CA-C 104.074 -2.565 . . . . 2.21 104.074 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.299 5.7 p -97.72 75.8 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-N 111.443 -2.617 . . . . 2.13 108.078 -156.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -67.26 -44.45 79.34 Favored 'General case' 0 CA--C 1.561 1.37 0 CA-C-N 109.119 -3.673 . . . . 1.76 117.669 -163.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.043 0 O-C-N 118.851 -2.406 . . . . 1.81 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.339 . . . . . . . . 2.75 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.5 p -95.53 131.34 41.82 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 125.646 1.841 . . . . 1.84 107.32 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.31 23.9 pttt -69.82 165.21 21.99 Favored 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 115.209 1.559 . . . . 3.01 115.209 -165.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.9 t -96.69 151.22 19.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 124.302 1.001 . . . . 2.27 109.62 166.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.32 130.95 46.73 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.507 1.123 . . . . 0.96 113.632 -175.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.2 -93.59 0.81 Allowed Glycine 0 C--N 1.345 1.077 0 N-CA-C 107.736 -2.145 . . . . 1.5 107.736 -159.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.44 -92.08 0.19 Allowed Glycine 0 C--N 1.35 1.328 0 N-CA-C 110.55 -1.02 . . . . 2.36 110.55 -177.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.418 1.3 mp 38.71 70.56 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 C-N-CA 128.822 2.849 . . . . 2.45 113.351 175.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.299 4.7 p -107.11 74.6 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 112.253 -2.249 . . . . 2.62 108.957 -149.106 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mt -78.12 143.11 37.59 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 108.979 -3.737 . . . . 2.18 113.756 -161.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.574 0 O-C-N 120.742 -1.224 . . . . 1.54 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.9 p . . . . . 0 N--CA 1.496 1.847 0 N-CA-C 107.182 -1.414 . . . . 1.8 107.182 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.274 9.5 mttp -109.64 166.43 10.91 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 125.826 1.65 . . . . 4.1 110.258 -171.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.408 ' H ' ' H ' ' A' ' 8' ' ' ILE . 60.3 p -81.84 167.66 18.79 Favored 'General case' 0 CA--C 1.569 1.689 0 C-N-CA 123.325 0.65 . . . . 2.92 111.482 170.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.15 90.3 0.33 Allowed 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 122.083 0.944 . . . . 0.96 110.265 168.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.28 -79.53 0.35 Allowed Glycine 0 CA--C 1.539 1.564 0 CA-C-N 113.632 -1.622 . . . . 1.5 110.035 -151.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.26 75.27 0.13 Allowed Glycine 0 C--N 1.352 1.467 0 CA-C-O 117.829 -1.539 . . . . 0.99 114.768 161.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.408 ' H ' ' H ' ' A' ' 4' ' ' SER 0.302 33.0 mm -101.15 59.79 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.45 0 CA-C-O 122.899 1.333 . . . . 1.97 110.714 -163.105 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.355 4.0 p -28.89 81.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 C-N-CA 128.556 2.742 . . . . 2.22 116.65 -154.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 CA--C 1.563 1.46 0 CA-C-N 109.179 -3.646 . . . . 1.93 118.039 -159.515 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.495 1.781 0 N-CA-C 107.482 -1.303 . . . . 2.91 107.482 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.309 0.7 OUTLIER -104.73 167.03 9.99 Favored 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 126.876 2.071 . . . . 5.23 110.449 -170.564 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.47 ' H ' ' H ' ' A' ' 8' ' ' ILE . 42.5 t -85.94 168.76 13.88 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.513 -0.767 . . . . 2.07 111.234 169.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.12 92.12 0.38 Allowed 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 122.061 0.934 . . . . 1.17 110.25 172.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.29 -79.42 0.37 Allowed Glycine 0 CA--C 1.539 1.555 0 CA-C-N 113.608 -1.633 . . . . 1.72 110.188 -152.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.36 73.12 0.06 OUTLIER Glycine 0 C--N 1.353 1.473 0 CA-C-O 118.2 -1.333 . . . . 1.03 114.378 161.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.47 ' H ' ' H ' ' A' ' 4' ' ' SER 0.272 31.7 mm -101.79 67.77 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.185 0 CA-C-O 122.403 1.096 . . . . 1.94 108.529 -156.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.356 4.2 p -31.03 82.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 C-N-CA 128.102 2.561 . . . . 2.68 116.845 -154.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.8 mt . . . . . 0 CA--C 1.541 0.62 0 CA-C-N 108.48 -3.964 . . . . 3.16 116.85 -158.278 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.9 p . . . . . 0 N--CA 1.497 1.885 0 N-CA-C 107.336 -1.357 . . . . 1.95 107.336 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.314 8.2 pttm -69.39 165.73 20.18 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 115.315 1.598 . . . . 3.22 115.315 -164.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.2 t -102.48 156.43 17.61 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 124.311 1.007 . . . . 2.32 109.598 166.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.72 132.78 50.01 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 114.533 1.309 . . . . 0.73 114.533 -170.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.14 40.55 9.16 Favored Glycine 0 CA--C 1.55 2.25 0 N-CA-C 118.217 2.047 . . . . 2.02 118.217 -169.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.37 52.54 21.47 Favored Glycine 0 C--N 1.352 1.469 0 N-CA-C 118.74 2.256 . . . . 1.38 118.74 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.7 mm -114.0 80.21 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 103.085 -2.932 . . . . 2.33 103.085 -167.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.8 t -106.91 80.67 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 102.287 -3.227 . . . . 2.86 102.287 -154.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 CA--C 1.56 1.335 0 CA-C-N 109.594 -3.457 . . . . 2.22 117.146 -160.697 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.4 p . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 106.47 -1.678 . . . . 1.84 106.47 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -87.28 168.04 13.55 Favored 'General case' 0 CA--C 1.575 1.918 0 C-N-CA 124.316 1.046 . . . . 2.87 110.032 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.443 ' HB2' ' H ' ' A' ' 8' ' ' ILE . 71.0 m -95.52 158.1 15.6 Favored 'General case' 0 CA--C 1.559 1.295 0 CA-C-N 114.039 -1.437 . . . . 2.28 110.678 168.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.04 123.6 23.15 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.828 0.851 . . . . 0.72 110.822 170.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.56 -82.13 0.31 Allowed Glycine 0 CA--C 1.536 1.394 0 N-CA-C 109.907 -1.277 . . . . 1.46 109.907 -156.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.75 74.05 0.02 OUTLIER Glycine 0 CA--C 1.536 1.389 0 N-CA-C 115.298 0.879 . . . . 0.98 115.298 158.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.443 ' H ' ' HB2' ' A' ' 4' ' ' SER 0.275 1.1 mp -92.15 96.98 6.7 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 N-CA-C 102.21 -3.255 . . . . 2.1 102.21 175.762 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.313 6.2 p -90.41 75.16 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 CA-C-N 111.967 -2.379 . . . . 2.22 109.62 -155.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 CA--C 1.559 1.298 0 CA-C-N 108.867 -3.788 . . . . 1.91 117.305 -167.387 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.496 1.843 0 N-CA-C 106.493 -1.669 . . . . 2.24 106.493 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.343 0.2 OUTLIER -70.23 169.47 13.62 Favored 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 115.577 1.695 . . . . 2.78 115.577 -164.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.1 p -75.09 172.02 13.09 Favored 'General case' 0 CA--C 1.569 1.694 0 C-N-CA 125.057 1.343 . . . . 2.79 112.985 -178.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.15 113.73 10.54 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.86 0.864 . . . . 0.86 109.529 165.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.95 -83.77 0.39 Allowed Glycine 0 N--CA 1.477 1.407 0 N-CA-C 109.297 -1.521 . . . . 1.52 109.297 -151.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.19 71.13 0.19 Allowed Glycine 0 C--N 1.351 1.406 0 N-CA-C 115.954 1.142 . . . . 0.98 115.954 158.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.425 1.4 mp -84.93 25.99 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 116.407 2.003 . . . . 2.37 116.407 -175.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.451 1.0 OUTLIER 46.21 77.0 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 C-N-CA 130.283 3.433 . . . . 1.99 112.264 162.426 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.305 3.2 mp . . . . . 0 CA--C 1.56 1.328 0 CA-C-N 109.245 -3.616 . . . . 2.25 118.106 -169.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 p . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 107.433 -1.321 . . . . 2.07 107.433 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.25 4.7 mtmm -124.22 166.64 15.5 Favored 'General case' 0 CA--C 1.574 1.874 0 C-N-CA 126.011 1.724 . . . . 3.74 109.616 -170.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.8 t -82.7 168.15 17.52 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.554 0.741 . . . . 2.18 111.612 166.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.74 93.15 0.92 Allowed 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.945 0.898 . . . . 1.04 109.748 170.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.88 -78.01 0.39 Allowed Glycine 0 CA--C 1.538 1.499 0 CA-C-N 113.712 -1.586 . . . . 1.61 110.299 -150.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.73 69.53 0.1 Allowed Glycine 0 C--N 1.354 1.539 0 CA-C-O 117.751 -1.583 . . . . 1.17 115.225 161.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.324 36.4 mm -96.35 55.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.507 0 CA-C-O 123.23 1.491 . . . . 2.04 111.538 -154.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.38 3.3 p -26.23 79.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 C-N-CA 128.303 2.641 . . . . 2.04 117.538 -149.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.308 2.6 mp . . . . . 0 CA--C 1.564 1.515 0 CA-C-N 108.451 -3.977 . . . . 2.31 121.491 177.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.0 p . . . . . 0 N--CA 1.503 2.203 0 N-CA-C 106.235 -1.765 . . . . 1.82 106.235 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -90.47 163.42 14.65 Favored 'General case' 0 CA--C 1.57 1.716 0 C-N-CA 124.509 1.124 . . . . 2.97 109.002 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.8 m -130.54 157.13 43.53 Favored 'General case' 0 CA--C 1.563 1.471 0 C-N-CA 125.397 1.479 . . . . 2.98 110.042 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.2 140.01 10.28 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 115.792 1.775 . . . . 1.1 115.792 -167.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.04 1.53 79.86 Favored Glycine 0 CA--C 1.557 2.671 0 N-CA-C 118.877 2.311 . . . . 1.76 118.877 -160.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.86 69.68 1.37 Allowed Glycine 0 C--N 1.353 1.491 0 CA-C-N 119.665 1.733 . . . . 1.19 115.507 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.0 mm -110.27 88.98 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 101.012 -3.699 . . . . 2.27 101.012 -163.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.307 5.9 p -94.01 76.14 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 CA-C-N 112.839 -1.982 . . . . 2.52 108.636 -155.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 CA--C 1.544 0.719 0 CA-C-N 109.057 -3.701 . . . . 1.68 114.003 -165.388 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.9 p . . . . . 0 N--CA 1.495 1.786 0 N-CA-C 106.461 -1.681 . . . . 1.93 106.461 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -81.79 169.52 16.81 Favored 'General case' 0 CA--C 1.578 2.037 0 C-N-CA 124.557 1.143 . . . . 3.04 110.494 -177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.8 t -103.66 166.32 10.49 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.727 1.211 . . . . 1.97 111.294 171.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.07 117.62 17.97 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 123.966 0.907 . . . . 0.68 109.346 165.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.55 -82.92 0.62 Allowed Glycine 0 N--CA 1.478 1.444 0 N-CA-C 109.104 -1.599 . . . . 1.38 109.104 -148.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.43 77.19 0.56 Allowed Glycine 0 C--N 1.352 1.448 0 CA-C-O 118.855 -0.969 . . . . 1.04 114.656 158.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.35 1.1 mp -86.88 66.41 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-O 122.916 1.341 . . . . 2.1 109.575 -169.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.351 0.9 OUTLIER -42.92 88.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 C-N-CA 128.678 2.791 . . . . 2.11 112.822 -146.724 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 CA--C 1.547 0.828 1 CA-C-N 108.151 -4.113 . . . . 2.01 114.786 -165.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.5 p . . . . . 0 N--CA 1.499 1.996 0 N-CA-C 106.682 -1.599 . . . . 4.92 106.682 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.403 ' HB2' ' H ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -72.06 -166.28 0.22 Allowed 'General case' 0 CA--C 1.588 2.439 0 CA-C-O 121.547 0.689 . . . . 12.3 109.771 169.814 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.2 m 42.4 144.66 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.343 0 N-CA-C 120.287 3.44 . . . . 2.37 120.287 129.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.16 88.93 7.79 Favored 'General case' 0 CA--C 1.567 1.613 0 N-CA-C 108.755 -0.832 . . . . 1.18 108.755 137.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.09 81.05 1.31 Allowed Glycine 0 N--CA 1.484 1.841 0 CA-C-O 119.035 -0.87 . . . . 3.1 113.946 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.541 ' H ' ' HB ' ' A' ' 8' ' ' ILE . . . -140.32 -66.96 0.04 OUTLIER Glycine 0 CA--C 1.545 1.921 0 CA-C-O 116.673 -2.181 . . . . 2.3 111.449 -176.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.541 ' HB ' ' H ' ' A' ' 7' ' ' GLY 0.381 10.5 tp -128.42 159.09 40.31 Favored 'Isoleucine or valine' 0 C--N 1.371 1.53 1 CA-C-N 126.66 5.23 . . . . 7.91 111.176 -21.433 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.427 2.8 p 41.55 68.11 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.789 1 CA-C-N 108.326 -4.034 . . . . 4.96 116.589 -170.074 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.403 ' H ' ' HB2' ' A' ' 3' ' ' LYS . 97.7 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 110.096 -3.229 . . . . 6.27 113.599 -160.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.496 1.874 0 N-CA-C 107.206 -1.405 . . . . 1.62 107.206 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -117.12 169.29 9.55 Favored 'General case' 0 CA--C 1.574 1.875 0 C-N-CA 125.703 1.601 . . . . 4.31 108.775 -173.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.0 m -82.36 166.32 19.55 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 123.32 0.648 . . . . 2.31 112.018 172.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.4 94.34 1.62 Allowed 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 123.926 0.89 . . . . 0.85 109.433 170.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.57 -77.23 0.39 Allowed Glycine 0 CA--C 1.538 1.521 0 CA-C-N 113.785 -1.552 . . . . 1.51 110.378 -149.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.44 77.41 0.26 Allowed Glycine 0 C--N 1.353 1.491 0 CA-C-O 117.764 -1.575 . . . . 1.01 113.512 162.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.324 40.8 mm -101.85 53.83 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.505 0 CA-C-O 123.061 1.41 . . . . 2.0 111.971 -159.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.359 4.3 p -31.65 81.47 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 C-N-CA 127.97 2.508 . . . . 2.3 117.131 -148.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.358 1.3 mp . . . . . 0 CA--C 1.551 0.998 0 CA-C-N 108.45 -3.977 . . . . 1.89 118.226 171.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.3 p . . . . . 0 N--CA 1.511 2.602 0 CA-C-O 118.625 -0.702 . . . . 1.82 110.647 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -88.52 170.15 11.13 Favored 'General case' 0 CA--C 1.573 1.846 0 O-C-N 124.605 1.19 . . . . 3.05 110.084 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.6 t -103.95 167.22 9.91 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.58 1.152 . . . . 1.87 111.306 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.42 116.18 15.87 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.02 0.928 . . . . 0.81 109.409 170.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 95.75 -80.98 0.81 Allowed Glycine 0 N--CA 1.478 1.471 0 N-CA-C 109.81 -1.316 . . . . 1.43 109.81 -148.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.26 74.27 0.39 Allowed Glycine 0 C--N 1.352 1.455 0 CA-C-O 118.301 -1.277 . . . . 1.02 115.964 160.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.385 1.2 mp -86.21 55.09 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 CA-C-O 123.317 1.532 . . . . 2.33 112.358 -167.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.37 3.7 p -27.48 78.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 C-N-CA 128.308 2.643 . . . . 1.88 117.45 -147.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.412 ' H ' ' CD1' ' A' ' 10' ' ' LEU 0.319 1.9 mp . . . . . 0 CA--C 1.563 1.467 1 CA-C-N 108.201 -4.09 . . . . 2.24 121.702 176.214 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 p . . . . . 0 N--CA 1.503 2.218 0 N-CA-C 107.084 -1.45 . . . . 1.87 107.084 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.313 0.0 OUTLIER -71.5 164.85 25.04 Favored 'General case' 0 CA--C 1.569 1.706 0 N-CA-C 114.87 1.433 . . . . 3.87 114.87 -165.191 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.0 m -108.41 157.95 17.95 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 114.413 -1.267 . . . . 2.89 110.182 173.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.43 139.36 15.58 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 115.458 1.651 . . . . 0.82 115.458 -170.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.22 0.86 84.73 Favored Glycine 0 CA--C 1.557 2.677 0 N-CA-C 119.107 2.403 . . . . 1.85 119.107 -161.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.63 50.1 5.81 Favored Glycine 0 CA--C 1.541 1.676 0 CA-C-N 119.752 1.776 . . . . 1.09 116.7 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.33 1.1 mp -88.31 80.64 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.322 0 N-CA-C 105.991 -1.855 . . . . 2.6 105.991 -176.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.282 8.9 p -118.66 55.4 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 CA-C-N 111.904 -2.407 . . . . 2.25 111.664 -152.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.295 0.7 OUTLIER . . . . . 0 CA--C 1.557 1.226 0 N-CA-C 120.703 3.594 . . . . 2.29 120.703 129.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.2 p . . . . . 0 N--CA 1.503 2.175 0 N-CA-C 107.093 -1.447 . . . . 1.68 107.093 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.267 20.8 mttt -114.61 166.95 11.18 Favored 'General case' 0 CA--C 1.571 1.781 0 C-N-CA 126.022 1.729 . . . . 3.58 109.767 -171.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.474 ' H ' ' H ' ' A' ' 8' ' ' ILE . 66.6 m -79.06 167.43 21.08 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 123.437 0.695 . . . . 2.44 112.03 170.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.07 92.14 0.52 Allowed 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 122.036 0.922 . . . . 1.03 110.055 171.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.8 -78.87 0.38 Allowed Glycine 0 CA--C 1.538 1.515 0 CA-C-N 113.697 -1.592 . . . . 1.63 110.204 -151.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.52 73.43 0.08 OUTLIER Glycine 0 C--N 1.353 1.498 0 CA-C-O 118.05 -1.416 . . . . 1.05 114.371 161.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.474 ' H ' ' H ' ' A' ' 4' ' ' SER 0.31 31.3 mm -96.33 60.85 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 CA-C-O 122.757 1.265 . . . . 1.9 110.053 -159.204 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.349 4.0 p -32.82 82.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 128.362 2.665 . . . . 2.07 116.143 -152.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 CA--C 1.563 1.444 0 CA-C-N 109.18 -3.645 . . . . 2.01 118.28 -158.576 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.4 p . . . . . 0 N--CA 1.496 1.846 0 N-CA-C 107.167 -1.42 . . . . 1.73 107.167 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -76.03 158.66 31.62 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 123.388 1.566 . . . . 3.11 111.881 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.3 t -93.19 165.99 12.54 Favored 'General case' 0 CA--C 1.564 1.511 0 CA-C-N 110.357 -3.11 . . . . 1.93 111.996 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.63 117.75 19.35 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.051 0.94 . . . . 0.68 109.105 165.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.07 -82.21 0.65 Allowed Glycine 0 N--CA 1.476 1.364 0 N-CA-C 109.178 -1.569 . . . . 1.37 109.178 -147.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.82 76.24 0.55 Allowed Glycine 0 C--N 1.352 1.437 0 CA-C-O 118.452 -1.193 . . . . 1.06 114.882 158.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.357 1.1 mp -86.05 64.06 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.834 0 CA-C-O 122.903 1.335 . . . . 2.13 110.411 -168.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.334 4.3 p -42.64 86.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 127.303 2.241 . . . . 1.86 115.229 -145.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 CA--C 1.562 1.438 0 CA-C-N 108.495 -3.957 . . . . 1.57 118.599 -164.799 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.6 p . . . . . 0 N--CA 1.503 2.185 0 N-CA-C 106.953 -1.499 . . . . 1.83 106.953 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.318 6.5 ptmt -70.34 166.4 20.3 Favored 'General case' 0 CA--C 1.572 1.796 0 C-N-CA 125.634 1.574 . . . . 3.02 114.887 -165.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.1 m -126.15 158.41 35.62 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 125.126 1.37 . . . . 2.97 109.765 177.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.47 135.24 34.04 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 115.005 1.483 . . . . 0.91 115.005 -170.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.82 28.07 43.78 Favored Glycine 0 CA--C 1.553 2.407 0 N-CA-C 118.814 2.286 . . . . 2.12 118.814 -166.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.32 57.37 7.56 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 118.433 2.133 . . . . 1.22 118.433 174.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.1 mm -108.17 77.68 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 103.233 -2.877 . . . . 2.69 103.233 -166.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.297 3.7 p -119.72 52.07 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 CA-C-O 124.277 1.989 . . . . 2.31 112.643 -146.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.3 0.7 OUTLIER . . . . . 0 CA--C 1.557 1.228 0 N-CA-C 120.586 3.55 . . . . 2.39 120.586 132.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 N--CA 1.503 2.187 0 N-CA-C 106.197 -1.779 . . . . 1.99 106.197 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -84.42 169.36 14.64 Favored 'General case' 0 CA--C 1.571 1.783 0 C-N-CA 124.535 1.134 . . . . 2.82 110.48 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.03 170.37 10.4 Favored 'General case' 0 CA--C 1.569 1.707 0 C-N-CA 123.625 0.77 . . . . 2.72 109.485 170.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.84 78.3 1.6 Allowed 'General case' 0 CA--C 1.571 1.771 0 CA-C-O 122.22 1.01 . . . . 1.53 111.408 168.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.67 64.92 1.77 Allowed Glycine 0 CA--C 1.563 3.035 0 CA-C-O 115.308 -2.94 . . . . 2.79 112.158 -171.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' H ' HD13 ' A' ' 8' ' ' ILE . . . 160.89 82.04 0.04 OUTLIER Glycine 0 C--N 1.363 2.033 2 CA-C-N 129.374 6.587 . . . . 1.12 111.678 -5.789 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.4 HD13 ' H ' ' A' ' 7' ' ' GLY 0.297 45.6 mm -98.13 54.3 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.341 0 CA-C-O 123.41 1.576 . . . . 1.99 111.776 -138.822 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.368 3.6 p -32.16 81.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 116.729 2.122 . . . . 2.18 116.729 -141.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 CA--C 1.545 0.764 0 CA-C-N 109.387 -3.551 . . . . 1.99 114.17 -158.67 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 N--CA 1.496 1.846 0 N-CA-C 107.198 -1.408 . . . . 1.55 107.198 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -68.19 158.89 32.22 Favored 'General case' 0 CA--C 1.566 1.568 0 C-N-CA 125.116 1.366 . . . . 3.88 113.945 -174.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.2 t -109.83 154.86 22.4 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 111.644 -2.526 . . . . 2.33 109.37 160.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.77 132.69 41.77 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 115.368 1.618 . . . . 0.76 115.368 -165.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.58 43.2 12.52 Favored Glycine 0 CA--C 1.547 2.068 0 N-CA-C 118.177 2.031 . . . . 1.96 118.177 -172.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.16 58.64 7.79 Favored Glycine 0 C--N 1.354 1.568 0 N-CA-C 118.577 2.191 . . . . 1.31 118.577 173.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.2 mm -111.51 78.49 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 N-CA-C 101.671 -3.455 . . . . 2.35 101.671 -176.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.9 t -102.41 78.85 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 102.752 -3.055 . . . . 2.57 102.752 -151.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 CA--C 1.56 1.346 0 CA-C-N 109.994 -3.276 . . . . 1.8 117.362 -162.564 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 CA--C 1.571 1.783 0 N-CA-C 107.463 -1.31 . . . . 2.67 107.463 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -69.12 158.37 35.01 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 125.619 1.567 . . . . 2.79 114.112 -167.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.7 t -118.91 154.67 32.59 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 111.337 -2.665 . . . . 2.7 110.28 172.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.71 138.23 14.72 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 116.032 1.864 . . . . 0.96 116.032 -164.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.69 24.29 70.41 Favored Glycine 0 CA--C 1.553 2.432 0 N-CA-C 118.885 2.314 . . . . 1.95 118.885 -167.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.23 64.82 2.93 Favored Glycine 0 C--N 1.354 1.555 0 N-CA-C 117.667 1.827 . . . . 1.42 117.667 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.6 mm -99.01 73.38 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.206 0 N-CA-C 103.447 -2.797 . . . . 2.82 103.447 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.31 5.3 p -119.11 52.34 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 CA-C-O 124.343 2.02 . . . . 2.68 112.087 -140.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.309 0.8 OUTLIER . . . . . 0 CA--C 1.556 1.21 0 N-CA-C 120.402 3.482 . . . . 2.69 120.402 133.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.5 p . . . . . 0 N--CA 1.496 1.846 0 N-CA-C 107.353 -1.351 . . . . 1.69 107.353 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.322 4.2 ptmt -70.3 166.63 19.76 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 115.159 1.54 . . . . 3.1 115.159 -165.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.0 m -116.74 152.98 33.2 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 114.512 -1.222 . . . . 2.67 110.141 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.47 138.46 55.06 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.529 1.307 . . . . 0.79 114.529 -173.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.15 -84.29 0.49 Allowed Glycine 0 N--CA 1.478 1.439 0 N-CA-C 109.524 -1.43 . . . . 1.59 109.524 -162.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.88 65.8 0.02 OUTLIER Glycine 0 CA--C 1.537 1.442 0 N-CA-C 115.957 1.143 . . . . 1.11 115.957 156.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.293 1.1 mp -90.68 88.96 2.94 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.395 0 N-CA-C 104.074 -2.565 . . . . 2.21 104.074 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.299 5.7 p -97.72 75.8 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-N 111.443 -2.617 . . . . 2.13 108.078 -156.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 CA--C 1.561 1.37 0 CA-C-N 109.119 -3.673 . . . . 1.76 117.669 -163.032 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.5 p . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 107.32 -1.363 . . . . 1.84 107.32 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.31 23.9 pttt -69.82 165.21 21.99 Favored 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 115.209 1.559 . . . . 3.01 115.209 -165.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.9 t -96.69 151.22 19.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 124.302 1.001 . . . . 2.27 109.62 166.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.32 130.95 46.73 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.507 1.123 . . . . 0.96 113.632 -175.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.2 -93.59 0.81 Allowed Glycine 0 C--N 1.345 1.077 0 N-CA-C 107.736 -2.145 . . . . 1.5 107.736 -159.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.44 -92.08 0.19 Allowed Glycine 0 C--N 1.35 1.328 0 N-CA-C 110.55 -1.02 . . . . 2.36 110.55 -177.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.418 1.3 mp 38.71 70.56 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 C-N-CA 128.822 2.849 . . . . 2.45 113.351 175.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.299 4.7 p -107.11 74.6 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 112.253 -2.249 . . . . 2.62 108.957 -149.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 CA--C 1.543 0.704 0 CA-C-N 108.979 -3.737 . . . . 2.18 113.756 -161.037 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.274 . . . . . . . . 3.23 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.9 p -95.86 129.04 43.22 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 125.686 1.866 . . . . 1.8 107.182 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.274 9.5 mttp -109.64 166.43 10.91 Favored 'General case' 0 CA--C 1.567 1.602 0 C-N-CA 125.826 1.65 . . . . 4.1 110.258 -171.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.408 ' H ' ' H ' ' A' ' 8' ' ' ILE . 60.3 p -81.84 167.66 18.79 Favored 'General case' 0 CA--C 1.569 1.689 0 C-N-CA 123.325 0.65 . . . . 2.92 111.482 170.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.15 90.3 0.33 Allowed 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 122.083 0.944 . . . . 0.96 110.265 168.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 132.28 -79.53 0.35 Allowed Glycine 0 CA--C 1.539 1.564 0 CA-C-N 113.632 -1.622 . . . . 1.5 110.035 -151.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.26 75.27 0.13 Allowed Glycine 0 C--N 1.352 1.467 0 CA-C-O 117.829 -1.539 . . . . 0.99 114.768 161.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.408 ' H ' ' H ' ' A' ' 4' ' ' SER 0.302 33.0 mm -101.15 59.79 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.45 0 CA-C-O 122.899 1.333 . . . . 1.97 110.714 -163.105 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.355 4.0 p -28.89 81.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 C-N-CA 128.556 2.742 . . . . 2.22 116.65 -154.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.82 -43.47 96.13 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-N 109.179 -3.646 . . . . 1.93 118.039 -159.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.09 0 O-C-N 118.96 -2.337 . . . . 1.62 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.321 . . . . . . . . 2.83 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 m -134.05 155.77 49.42 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 125.637 1.836 . . . . 2.91 107.482 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.309 0.7 OUTLIER -104.73 167.03 9.99 Favored 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 126.876 2.071 . . . . 5.23 110.449 -170.564 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.47 ' H ' ' H ' ' A' ' 8' ' ' ILE . 42.5 t -85.94 168.76 13.88 Favored 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 115.513 -0.767 . . . . 2.07 111.234 169.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.12 92.12 0.38 Allowed 'General case' 0 CA--C 1.564 1.504 0 CA-C-O 122.061 0.934 . . . . 1.17 110.25 172.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.29 -79.42 0.37 Allowed Glycine 0 CA--C 1.539 1.555 0 CA-C-N 113.608 -1.633 . . . . 1.72 110.188 -152.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.36 73.12 0.06 OUTLIER Glycine 0 C--N 1.353 1.473 0 CA-C-O 118.2 -1.333 . . . . 1.03 114.378 161.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.47 ' H ' ' H ' ' A' ' 4' ' ' SER 0.272 31.7 mm -101.79 67.77 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.185 0 CA-C-O 122.403 1.096 . . . . 1.94 108.529 -156.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.356 4.2 p -31.03 82.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 C-N-CA 128.102 2.561 . . . . 2.68 116.845 -154.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.8 mt -66.23 118.85 10.53 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 108.48 -3.964 . . . . 3.16 116.85 -158.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 O-C-N 121.317 -0.865 . . . . 2.26 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.305 . . . . . . . . 2.33 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.9 p -95.49 131.34 41.76 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 125.712 1.883 . . . . 1.95 107.336 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.314 8.2 pttm -69.39 165.73 20.18 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 115.315 1.598 . . . . 3.22 115.315 -164.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.2 t -102.48 156.43 17.61 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 124.311 1.007 . . . . 2.32 109.598 166.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.72 132.78 50.01 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 114.533 1.309 . . . . 0.73 114.533 -170.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.14 40.55 9.16 Favored Glycine 0 CA--C 1.55 2.25 0 N-CA-C 118.217 2.047 . . . . 2.02 118.217 -169.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.37 52.54 21.47 Favored Glycine 0 C--N 1.352 1.469 0 N-CA-C 118.74 2.256 . . . . 1.38 118.74 171.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.7 mm -114.0 80.21 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 103.085 -2.932 . . . . 2.33 103.085 -167.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.8 t -106.91 80.67 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 102.287 -3.227 . . . . 2.86 102.287 -154.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.11 -45.71 63.11 Favored 'General case' 0 CA--C 1.56 1.335 0 CA-C-N 109.594 -3.457 . . . . 2.22 117.146 -160.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.042 0 O-C-N 118.831 -2.418 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.318 . . . . . . . . 2.29 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.4 p -97.2 123.79 41.09 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 125.654 1.846 . . . . 1.84 106.47 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -87.28 168.04 13.55 Favored 'General case' 0 CA--C 1.575 1.918 0 C-N-CA 124.316 1.046 . . . . 2.87 110.032 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.443 ' HB2' ' H ' ' A' ' 8' ' ' ILE . 71.0 m -95.52 158.1 15.6 Favored 'General case' 0 CA--C 1.559 1.295 0 CA-C-N 114.039 -1.437 . . . . 2.28 110.678 168.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.04 123.6 23.15 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.828 0.851 . . . . 0.72 110.822 170.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.56 -82.13 0.31 Allowed Glycine 0 CA--C 1.536 1.394 0 N-CA-C 109.907 -1.277 . . . . 1.46 109.907 -156.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.75 74.05 0.02 OUTLIER Glycine 0 CA--C 1.536 1.389 0 N-CA-C 115.298 0.879 . . . . 0.98 115.298 158.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.443 ' H ' ' HB2' ' A' ' 4' ' ' SER 0.275 1.1 mp -92.15 96.98 6.7 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.231 0 N-CA-C 102.21 -3.255 . . . . 2.1 102.21 175.762 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.313 6.2 p -90.41 75.16 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 CA-C-N 111.967 -2.379 . . . . 2.22 109.62 -155.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 mt -70.32 -45.64 65.8 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 108.867 -3.788 . . . . 1.91 117.305 -167.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.036 0 O-C-N 118.794 -2.441 . . . . 2.03 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.337 . . . . . . . . 2.37 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.8 p -145.93 130.92 18.24 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 125.706 1.879 . . . . 2.24 106.493 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.343 0.2 OUTLIER -70.23 169.47 13.62 Favored 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 115.577 1.695 . . . . 2.78 115.577 -164.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.1 p -75.09 172.02 13.09 Favored 'General case' 0 CA--C 1.569 1.694 0 C-N-CA 125.057 1.343 . . . . 2.79 112.985 -178.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.15 113.73 10.54 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.86 0.864 . . . . 0.86 109.529 165.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.95 -83.77 0.39 Allowed Glycine 0 N--CA 1.477 1.407 0 N-CA-C 109.297 -1.521 . . . . 1.52 109.297 -151.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.19 71.13 0.19 Allowed Glycine 0 C--N 1.351 1.406 0 N-CA-C 115.954 1.142 . . . . 0.98 115.954 158.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.425 1.4 mp -84.93 25.99 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 N-CA-C 116.407 2.003 . . . . 2.37 116.407 -175.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.451 1.0 OUTLIER 46.21 77.0 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 C-N-CA 130.283 3.433 . . . . 1.99 112.264 162.426 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.305 3.2 mp -69.5 -44.24 71.5 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-N 109.245 -3.616 . . . . 2.25 118.106 -169.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.046 0 O-C-N 118.841 -2.412 . . . . 1.73 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.304 . . . . . . . . 3.94 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 p -95.19 130.79 41.79 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 125.683 1.864 . . . . 2.07 107.433 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.25 4.7 mtmm -124.22 166.64 15.5 Favored 'General case' 0 CA--C 1.574 1.874 0 C-N-CA 126.011 1.724 . . . . 3.74 109.616 -170.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.8 t -82.7 168.15 17.52 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 123.554 0.741 . . . . 2.18 111.612 166.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.74 93.15 0.92 Allowed 'General case' 0 CA--C 1.562 1.421 0 C-N-CA 123.945 0.898 . . . . 1.04 109.748 170.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.88 -78.01 0.39 Allowed Glycine 0 CA--C 1.538 1.499 0 CA-C-N 113.712 -1.586 . . . . 1.61 110.299 -150.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.73 69.53 0.1 Allowed Glycine 0 C--N 1.354 1.539 0 CA-C-O 117.751 -1.583 . . . . 1.17 115.225 161.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.324 36.4 mm -96.35 55.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.507 0 CA-C-O 123.23 1.491 . . . . 2.04 111.538 -154.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.38 3.3 p -26.23 79.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 C-N-CA 128.303 2.641 . . . . 2.04 117.538 -149.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.308 2.6 mp -33.47 -35.9 0.03 OUTLIER 'General case' 0 CA--C 1.564 1.515 0 CA-C-N 108.451 -3.977 . . . . 2.31 121.491 177.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.175 0 O-C-N 119.321 -2.112 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.022 . . . . . . . . 2.74 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.0 p -92.34 123.23 35.51 Favored 'General case' 0 N--CA 1.503 2.203 1 O-C-N 115.729 -4.357 . . . . 1.82 106.235 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -90.47 163.42 14.65 Favored 'General case' 0 CA--C 1.57 1.716 0 C-N-CA 124.509 1.124 . . . . 2.97 109.002 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.8 m -130.54 157.13 43.53 Favored 'General case' 0 CA--C 1.563 1.471 0 C-N-CA 125.397 1.479 . . . . 2.98 110.042 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.2 140.01 10.28 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 115.792 1.775 . . . . 1.1 115.792 -167.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.04 1.53 79.86 Favored Glycine 0 CA--C 1.557 2.671 0 N-CA-C 118.877 2.311 . . . . 1.76 118.877 -160.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.86 69.68 1.37 Allowed Glycine 0 C--N 1.353 1.491 0 CA-C-N 119.665 1.733 . . . . 1.19 115.507 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.0 mm -110.27 88.98 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 101.012 -3.699 . . . . 2.27 101.012 -163.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.307 5.9 p -94.01 76.14 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 CA-C-N 112.839 -1.982 . . . . 2.52 108.636 -155.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mt -74.79 142.42 44.25 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 109.057 -3.701 . . . . 1.68 114.003 -165.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 O-C-N 120.738 -1.227 . . . . 1.9 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.342 . . . . . . . . 2.19 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.9 p -97.25 123.91 41.19 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 125.685 1.866 . . . . 1.93 106.461 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -81.79 169.52 16.81 Favored 'General case' 0 CA--C 1.578 2.037 0 C-N-CA 124.557 1.143 . . . . 3.04 110.494 -177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.8 t -103.66 166.32 10.49 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.727 1.211 . . . . 1.97 111.294 171.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.07 117.62 17.97 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 123.966 0.907 . . . . 0.68 109.346 165.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.55 -82.92 0.62 Allowed Glycine 0 N--CA 1.478 1.444 0 N-CA-C 109.104 -1.599 . . . . 1.38 109.104 -148.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.43 77.19 0.56 Allowed Glycine 0 C--N 1.352 1.448 0 CA-C-O 118.855 -0.969 . . . . 1.04 114.656 158.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.35 1.1 mp -86.88 66.41 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 CA-C-O 122.916 1.341 . . . . 2.1 109.575 -169.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.351 0.9 OUTLIER -42.92 88.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 C-N-CA 128.678 2.791 . . . . 2.11 112.822 -146.724 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt -66.33 143.19 57.32 Favored 'General case' 0 CA--C 1.547 0.828 1 CA-C-N 108.151 -4.113 . . . . 2.01 114.786 -165.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 120.839 -1.163 . . . . 1.54 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.338 . . . . . . . . 2.84 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 25.5 p -155.66 133.29 11.12 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 125.532 1.77 . . . . 4.92 106.682 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' HB2' ' H ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -72.06 -166.28 0.22 Allowed 'General case' 0 CA--C 1.588 2.439 0 CA-C-O 121.547 0.689 . . . . 12.3 109.771 169.814 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.2 m 42.4 144.66 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.343 0 N-CA-C 120.287 3.44 . . . . 2.37 120.287 129.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.16 88.93 7.79 Favored 'General case' 0 CA--C 1.567 1.613 0 N-CA-C 108.755 -0.832 . . . . 1.18 108.755 137.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.09 81.05 1.31 Allowed Glycine 0 N--CA 1.484 1.841 0 CA-C-O 119.035 -0.87 . . . . 3.1 113.946 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.541 ' H ' ' HB ' ' A' ' 8' ' ' ILE . . . -140.32 -66.96 0.04 OUTLIER Glycine 0 CA--C 1.545 1.921 0 CA-C-O 116.673 -2.181 . . . . 2.3 111.449 -176.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.541 ' HB ' ' H ' ' A' ' 7' ' ' GLY 0.381 10.5 tp -128.42 159.09 40.31 Favored 'Isoleucine or valine' 0 C--N 1.371 1.53 1 CA-C-N 126.66 5.23 . . . . 7.91 111.176 -21.433 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.427 2.8 p 41.55 68.11 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.789 1 CA-C-N 108.326 -4.034 . . . . 4.96 116.589 -170.074 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.403 ' H ' ' HB2' ' A' ' 3' ' ' LYS . 97.7 mt -93.32 113.45 25.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 110.096 -3.229 . . . . 6.27 113.599 -160.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.607 0 O-C-N 121.26 -0.9 . . . . 3.16 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.348 . . . . . . . . 3.36 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.8 p -95.61 128.93 42.89 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 125.718 1.886 . . . . 1.62 107.206 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -117.12 169.29 9.55 Favored 'General case' 0 CA--C 1.574 1.875 0 C-N-CA 125.703 1.601 . . . . 4.31 108.775 -173.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.0 m -82.36 166.32 19.55 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 123.32 0.648 . . . . 2.31 112.018 172.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.4 94.34 1.62 Allowed 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 123.926 0.89 . . . . 0.85 109.433 170.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 126.57 -77.23 0.39 Allowed Glycine 0 CA--C 1.538 1.521 0 CA-C-N 113.785 -1.552 . . . . 1.51 110.378 -149.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.44 77.41 0.26 Allowed Glycine 0 C--N 1.353 1.491 0 CA-C-O 117.764 -1.575 . . . . 1.01 113.512 162.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.324 40.8 mm -101.85 53.83 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.505 0 CA-C-O 123.061 1.41 . . . . 2.0 111.971 -159.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.359 4.3 p -31.65 81.47 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 C-N-CA 127.97 2.508 . . . . 2.3 117.131 -148.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.358 1.3 mp -38.49 152.93 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 108.45 -3.977 . . . . 1.89 118.226 171.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 O-C-N 120.996 -1.065 . . . . 2.07 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.17 . . . . . . . . 3.58 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 58.3 p 62.16 126.53 0.01 OUTLIER 'General case' 0 N--CA 1.511 2.602 0 C-N-CA 126.859 2.064 . . . . 1.82 110.647 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.6 ttpt -88.52 170.15 11.13 Favored 'General case' 0 CA--C 1.573 1.846 0 O-C-N 124.605 1.19 . . . . 3.05 110.084 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 44.6 t -103.95 167.22 9.91 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.58 1.152 . . . . 1.87 111.306 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.42 116.18 15.87 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.02 0.928 . . . . 0.81 109.409 170.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 95.75 -80.98 0.81 Allowed Glycine 0 N--CA 1.478 1.471 0 N-CA-C 109.81 -1.316 . . . . 1.43 109.81 -148.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.26 74.27 0.39 Allowed Glycine 0 C--N 1.352 1.455 0 CA-C-O 118.301 -1.277 . . . . 1.02 115.964 160.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.385 1.2 mp -86.21 55.09 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 CA-C-O 123.317 1.532 . . . . 2.33 112.358 -167.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.37 3.7 p -27.48 78.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.905 0 C-N-CA 128.308 2.643 . . . . 1.88 117.45 -147.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.412 ' H ' ' CD1' ' A' ' 10' ' ' LEU 0.319 1.9 mp -30.92 -35.28 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.467 1 CA-C-N 108.201 -4.09 . . . . 2.24 121.702 176.214 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.185 0 O-C-N 119.325 -2.109 . . . . 1.51 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 . . . . . . . . 3.65 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.8 p -90.63 130.94 36.59 Favored 'General case' 0 N--CA 1.503 2.218 1 O-C-N 115.721 -4.362 . . . . 1.87 107.084 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.313 0.0 OUTLIER -71.5 164.85 25.04 Favored 'General case' 0 CA--C 1.569 1.706 0 N-CA-C 114.87 1.433 . . . . 3.87 114.87 -165.191 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.0 m -108.41 157.95 17.95 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 114.413 -1.267 . . . . 2.89 110.182 173.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.43 139.36 15.58 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 115.458 1.651 . . . . 0.82 115.458 -170.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.22 0.86 84.73 Favored Glycine 0 CA--C 1.557 2.677 0 N-CA-C 119.107 2.403 . . . . 1.85 119.107 -161.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.63 50.1 5.81 Favored Glycine 0 CA--C 1.541 1.676 0 CA-C-N 119.752 1.776 . . . . 1.09 116.7 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.33 1.1 mp -88.31 80.64 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.322 0 N-CA-C 105.991 -1.855 . . . . 2.6 105.991 -176.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.282 8.9 p -118.66 55.4 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 CA-C-N 111.904 -2.407 . . . . 2.25 111.664 -152.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.295 0.7 OUTLIER 3.53 150.93 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 120.703 3.594 . . . . 2.29 120.703 129.301 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 120.634 -1.291 . . . . 1.71 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 4.74 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.2 p -90.79 129.19 36.88 Favored 'General case' 0 N--CA 1.503 2.175 1 O-C-N 115.761 -4.337 . . . . 1.68 107.093 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.267 20.8 mttt -114.61 166.95 11.18 Favored 'General case' 0 CA--C 1.571 1.781 0 C-N-CA 126.022 1.729 . . . . 3.58 109.767 -171.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.474 ' H ' ' H ' ' A' ' 8' ' ' ILE . 66.6 m -79.06 167.43 21.08 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 123.437 0.695 . . . . 2.44 112.03 170.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.07 92.14 0.52 Allowed 'General case' 0 CA--C 1.563 1.478 0 CA-C-O 122.036 0.922 . . . . 1.03 110.055 171.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.8 -78.87 0.38 Allowed Glycine 0 CA--C 1.538 1.515 0 CA-C-N 113.697 -1.592 . . . . 1.63 110.204 -151.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.52 73.43 0.08 OUTLIER Glycine 0 C--N 1.353 1.498 0 CA-C-O 118.05 -1.416 . . . . 1.05 114.371 161.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.474 ' H ' ' H ' ' A' ' 4' ' ' SER 0.31 31.3 mm -96.33 60.85 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 CA-C-O 122.757 1.265 . . . . 1.9 110.053 -159.204 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.349 4.0 p -32.82 82.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 C-N-CA 128.362 2.665 . . . . 2.07 116.143 -152.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.85 -42.98 99.96 Favored 'General case' 0 CA--C 1.563 1.444 0 CA-C-N 109.18 -3.645 . . . . 2.01 118.28 -158.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.066 0 O-C-N 118.967 -2.333 . . . . 1.38 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.337 . . . . . . . . 2.22 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.4 p -96.22 128.44 43.13 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 125.683 1.865 . . . . 1.73 107.167 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -76.03 158.66 31.62 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 123.388 1.566 . . . . 3.11 111.881 -177.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.3 t -93.19 165.99 12.54 Favored 'General case' 0 CA--C 1.564 1.511 0 CA-C-N 110.357 -3.11 . . . . 1.93 111.996 178.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.63 117.75 19.35 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.051 0.94 . . . . 0.68 109.105 165.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.07 -82.21 0.65 Allowed Glycine 0 N--CA 1.476 1.364 0 N-CA-C 109.178 -1.569 . . . . 1.37 109.178 -147.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.82 76.24 0.55 Allowed Glycine 0 C--N 1.352 1.437 0 CA-C-O 118.452 -1.193 . . . . 1.06 114.882 158.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.357 1.1 mp -86.05 64.06 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.834 0 CA-C-O 122.903 1.335 . . . . 2.13 110.411 -168.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.334 4.3 p -42.64 86.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 127.303 2.241 . . . . 1.86 115.229 -145.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.2 -41.15 87.88 Favored 'General case' 0 CA--C 1.562 1.438 0 CA-C-N 108.495 -3.957 . . . . 1.57 118.599 -164.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.113 0 O-C-N 119.039 -2.288 . . . . 1.77 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 4.18 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.6 p -92.88 131.3 38.03 Favored 'General case' 0 N--CA 1.503 2.185 1 O-C-N 115.772 -4.33 . . . . 1.83 106.953 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.318 6.5 ptmt -70.34 166.4 20.3 Favored 'General case' 0 CA--C 1.572 1.796 0 C-N-CA 125.634 1.574 . . . . 3.02 114.887 -165.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.1 m -126.15 158.41 35.62 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 125.126 1.37 . . . . 2.97 109.765 177.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.47 135.24 34.04 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 115.005 1.483 . . . . 0.91 115.005 -170.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.82 28.07 43.78 Favored Glycine 0 CA--C 1.553 2.407 0 N-CA-C 118.814 2.286 . . . . 2.12 118.814 -166.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.32 57.37 7.56 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 118.433 2.133 . . . . 1.22 118.433 174.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.1 mm -108.17 77.68 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 N-CA-C 103.233 -2.877 . . . . 2.69 103.233 -166.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.297 3.7 p -119.72 52.07 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 CA-C-O 124.277 1.989 . . . . 2.31 112.643 -146.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.3 0.7 OUTLIER 2.3 151.32 0.0 OUTLIER 'General case' 0 CA--C 1.557 1.228 0 N-CA-C 120.586 3.55 . . . . 2.39 120.586 132.315 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 O-C-N 120.703 -1.248 . . . . 1.5 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 2.71 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 p -92.46 123.3 35.67 Favored 'General case' 0 N--CA 1.503 2.187 1 O-C-N 115.76 -4.337 . . . . 1.99 106.197 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -84.42 169.36 14.64 Favored 'General case' 0 CA--C 1.571 1.783 0 C-N-CA 124.535 1.134 . . . . 2.82 110.48 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.03 170.37 10.4 Favored 'General case' 0 CA--C 1.569 1.707 0 C-N-CA 123.625 0.77 . . . . 2.72 109.485 170.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.84 78.3 1.6 Allowed 'General case' 0 CA--C 1.571 1.771 0 CA-C-O 122.22 1.01 . . . . 1.53 111.408 168.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.67 64.92 1.77 Allowed Glycine 0 CA--C 1.563 3.035 0 CA-C-O 115.308 -2.94 . . . . 2.79 112.158 -171.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' H ' HD13 ' A' ' 8' ' ' ILE . . . 160.89 82.04 0.04 OUTLIER Glycine 0 C--N 1.363 2.033 2 CA-C-N 129.374 6.587 . . . . 1.12 111.678 -5.789 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.4 HD13 ' H ' ' A' ' 7' ' ' GLY 0.297 45.6 mm -98.13 54.3 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.341 0 CA-C-O 123.41 1.576 . . . . 1.99 111.776 -138.822 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.368 3.6 p -32.16 81.39 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 116.729 2.122 . . . . 2.18 116.729 -141.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.9 mt -71.67 141.11 49.89 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 109.387 -3.551 . . . . 1.99 114.17 -158.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.55 0 O-C-N 120.795 -1.191 . . . . 1.57 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.361 . . . . . . . . 2.34 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.1 p -96.45 130.0 43.7 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 125.694 1.871 . . . . 1.55 107.198 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -68.19 158.89 32.22 Favored 'General case' 0 CA--C 1.566 1.568 0 C-N-CA 125.116 1.366 . . . . 3.88 113.945 -174.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.2 t -109.83 154.86 22.4 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 111.644 -2.526 . . . . 2.33 109.37 160.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.77 132.69 41.77 Favored 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 115.368 1.618 . . . . 0.76 115.368 -165.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.58 43.2 12.52 Favored Glycine 0 CA--C 1.547 2.068 0 N-CA-C 118.177 2.031 . . . . 1.96 118.177 -172.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.16 58.64 7.79 Favored Glycine 0 C--N 1.354 1.568 0 N-CA-C 118.577 2.191 . . . . 1.31 118.577 173.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.2 mm -111.51 78.49 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 N-CA-C 101.671 -3.455 . . . . 2.35 101.671 -176.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.9 t -102.41 78.85 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 102.752 -3.055 . . . . 2.57 102.752 -151.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.3 mt -70.03 -44.68 68.77 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-N 109.994 -3.276 . . . . 1.8 117.362 -162.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.025 0 O-C-N 118.817 -2.427 . . . . 1.47 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.325 . . . . . . . . 4.19 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 m -133.53 156.33 47.97 Favored 'General case' 0 CA--C 1.571 1.783 0 O-C-N 125.593 1.808 . . . . 2.67 107.463 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -69.12 158.37 35.01 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 125.619 1.567 . . . . 2.79 114.112 -167.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.7 t -118.91 154.67 32.59 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 111.337 -2.665 . . . . 2.7 110.28 172.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.71 138.23 14.72 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 116.032 1.864 . . . . 0.96 116.032 -164.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 75.69 24.29 70.41 Favored Glycine 0 CA--C 1.553 2.432 0 N-CA-C 118.885 2.314 . . . . 1.95 118.885 -167.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.23 64.82 2.93 Favored Glycine 0 C--N 1.354 1.555 0 N-CA-C 117.667 1.827 . . . . 1.42 117.667 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.6 mm -99.01 73.38 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.556 1.206 0 N-CA-C 103.447 -2.797 . . . . 2.82 103.447 177.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.31 5.3 p -119.11 52.34 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 CA-C-O 124.343 2.02 . . . . 2.68 112.087 -140.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . 0.309 0.8 OUTLIER -0.1 126.65 0.0 OUTLIER 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 120.402 3.482 . . . . 2.69 120.402 133.113 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.544 0 O-C-N 120.699 -1.251 . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.32 . . . . . . . . 2.97 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.5 p -95.46 131.36 41.7 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 125.708 1.88 . . . . 1.69 107.353 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.322 4.2 ptmt -70.3 166.63 19.76 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 115.159 1.54 . . . . 3.1 115.159 -165.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.0 m -116.74 152.98 33.2 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 114.512 -1.222 . . . . 2.67 110.141 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.47 138.46 55.06 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.529 1.307 . . . . 0.79 114.529 -173.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.15 -84.29 0.49 Allowed Glycine 0 N--CA 1.478 1.439 0 N-CA-C 109.524 -1.43 . . . . 1.59 109.524 -162.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.88 65.8 0.02 OUTLIER Glycine 0 CA--C 1.537 1.442 0 N-CA-C 115.957 1.143 . . . . 1.11 115.957 156.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.293 1.1 mp -90.68 88.96 2.94 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.395 0 N-CA-C 104.074 -2.565 . . . . 2.21 104.074 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.299 5.7 p -97.72 75.8 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 CA-C-N 111.443 -2.617 . . . . 2.13 108.078 -156.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -67.26 -44.45 79.34 Favored 'General case' 0 CA--C 1.561 1.37 0 CA-C-N 109.119 -3.673 . . . . 1.76 117.669 -163.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.043 0 O-C-N 118.851 -2.406 . . . . 1.81 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.339 . . . . . . . . 2.75 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 32.5 p -95.53 131.34 41.82 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 125.646 1.841 . . . . 1.84 107.32 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.31 23.9 pttt -69.82 165.21 21.99 Favored 'General case' 0 CA--C 1.568 1.651 0 N-CA-C 115.209 1.559 . . . . 3.01 115.209 -165.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.9 t -96.69 151.22 19.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 124.302 1.001 . . . . 2.27 109.62 166.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.32 130.95 46.73 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 124.507 1.123 . . . . 0.96 113.632 -175.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.2 -93.59 0.81 Allowed Glycine 0 C--N 1.345 1.077 0 N-CA-C 107.736 -2.145 . . . . 1.5 107.736 -159.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.44 -92.08 0.19 Allowed Glycine 0 C--N 1.35 1.328 0 N-CA-C 110.55 -1.02 . . . . 2.36 110.55 -177.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . 0.418 1.3 mp 38.71 70.56 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 C-N-CA 128.822 2.849 . . . . 2.45 113.351 175.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . 0.299 4.7 p -107.11 74.6 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 112.253 -2.249 . . . . 2.62 108.957 -149.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mt -78.12 143.11 37.59 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 108.979 -3.737 . . . . 2.18 113.756 -161.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.574 0 O-C-N 120.742 -1.224 . . . . 1.54 . . . . . . . . . . 0 0 . 1 stop_ save_